3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C17H22N4O3S — CID 134052502

IUPAC3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n[nH]1
InChIInChI=1S/C17H22N4O3S/c1-13-11-16(20-19-13)18-17(22)14-7-6-8-15(12-14)25(23,24)21-9-4-2-3-5-10-21/h6-8,11-12H,2-5,9-10H2,1H3,(H2,18,19,20,22)
InChIKeyGPZQLJMKYMGKQN-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.54
Rot. Bonds4

About 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide

3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 134052502) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID134052502
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n[nH]1
InChIInChI=1S/C17H22N4O3S/c1-13-11-16(20-19-13)18-17(22)14-7-6-8-15(12-14)25(23,24)21-9-4-2-3-5-10-21/h6-8,11-12H,2-5,9-10H2,1H3,(H2,18,19,20,22)
InChIKeyGPZQLJMKYMGKQN-UHFFFAOYSA-N
XLogP2.54
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 43021038
3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838796
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24688048
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 134052502) is 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n[nH]1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is GPZQLJMKYMGKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-13-11-16(20-19-13)18-17(22)14-7-6-8-15(12-14)25(23,24)21-9-4-2-3-5-10-21/h6-8,11-12H,2-5,9-10H2,1H3,(H2,18,19,20,22).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 362.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 134052502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).