3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide

C11H12N4O3S — CID 102692470

IUPAC3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
SMILESCc1cc(C(N)=O)ccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H12N4O3S/c1-7-6-8(11(12)16)2-3-9(7)15-19(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H2,12,16)(H,13,14)
InChIKeyHBJAMXHPBDRRGE-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.62
Rot. Bonds4

About 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide

3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide (PubChem CID 102692470) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
PubChem CID102692470
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
SMILESCc1cc(C(N)=O)ccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H12N4O3S/c1-7-6-8(11(12)16)2-3-9(7)15-19(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H2,12,16)(H,13,14)
InChIKeyHBJAMXHPBDRRGE-UHFFFAOYSA-N
XLogP0.62
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692709
3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107790817
N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102693886
2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarbothioamide
CID 107799115
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
CID 61454869
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692631
4-(chloromethylsulfonylamino)-3-methylbenzamide
CID 63666829
N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
CID 102693349
N-(2-bromo-5-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691391

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The IUPAC name of 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide (CID 102692470) is 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide.
What is the SMILES notation for 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The canonical SMILES for 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide is Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The InChIKey is HBJAMXHPBDRRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-6-8(11(12)16)2-3-9(7)15-19(17,18)10-4-5-13-14-10/h2-6,15H,1H3,(H2,12,16)(H,13,14).
What are the key properties of 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide?
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide has a molecular weight of 280.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 102692470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).