M2U

~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide

Created:	2022-07-21
Last modified:	2022-09-14

Find Related PDB Entry
1 entries where M2U is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of M2U

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide
Formula	C₁₁ H₁₃ N₃ O₂ S
Molecular Weight	251.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN[S](=O)(=O)c1cnn(c1C)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cnn1c2ccccc2)S(=O)(=O)NC
Canonical SMILES	CACTVS	3.385	CN[S](=O)(=O)c1cnn(c1C)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cnn1c2ccccc2)S(=O)(=O)NC
InChI	InChI	1.06	InChI=1S/C11H13N3O2S/c1-9-11(17(15,16)12-2)8-13-14(9)10-6-4-3-5-7-10/h3-8,12H,1-2H3
InChIKey	InChI	1.06	GGFXNMABROEKLJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	164889283

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.