4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide

C17H16N4O3S — CID 155543634

IUPAC4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C17H16N4O3S/c1-21-12-15(11-18-21)19-17(22)13-7-9-14(10-8-13)20-25(23,24)16-5-3-2-4-6-16/h2-12,20H,1H3,(H,19,22)
InChIKeyXZNSLTQVQFNZRP-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.47
Rot. Bonds5

About 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide

4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 155543634) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID155543634
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C17H16N4O3S/c1-21-12-15(11-18-21)19-17(22)13-7-9-14(10-8-13)20-25(23,24)16-5-3-2-4-6-16/h2-12,20H,1H3,(H,19,22)
InChIKeyXZNSLTQVQFNZRP-UHFFFAOYSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934736
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
N'-(benzenesulfonyl)-3-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298571
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
CID 135298591

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide (CID 155543634) is 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is XZNSLTQVQFNZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-21-12-15(11-18-21)19-17(22)13-7-9-14(10-8-13)20-25(23,24)16-5-3-2-4-6-16/h2-12,20H,1H3,(H,19,22).
What are the key properties of 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 155543634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).