N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

C11H12N4O3S — CID 63080492

IUPACN-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H12N4O3S/c1-7-6-8(19(12,17)18)2-3-9(7)14-11(16)10-4-5-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)(H2,12,17,18)
InChIKeyWWXAUYIIZXOEEB-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.62
Rot. Bonds3

About N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63080492) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID63080492
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H12N4O3S/c1-7-6-8(19(12,17)18)2-3-9(7)14-11(16)10-4-5-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)(H2,12,17,18)
InChIKeyWWXAUYIIZXOEEB-UHFFFAOYSA-N
XLogP0.62
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 63080493
3-chloro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086291
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086288
2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965297
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide
CID 63079979
5-fluoro-N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786047
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
2,5-dichloro-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965296
2-ethyl-N-(2-methyl-4-sulfamoylphenyl)butanamide
CID 43246558

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 63080492) is N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WWXAUYIIZXOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-6-8(19(12,17)18)2-3-9(7)14-11(16)10-4-5-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)(H2,12,17,18).
What are the key properties of N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63080492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).