3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide

C20H23FN2O3S — CID 9119993

IUPAC3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1F
InChIInChI=1S/C20H23FN2O3S/c1-15-9-10-17(14-19(15)21)22-20(24)16-7-6-8-18(13-16)27(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyVUHIXHDXSFLTMM-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.95
Rot. Bonds4

About 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide

3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 9119993) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID9119993
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1F
InChIInChI=1S/C20H23FN2O3S/c1-15-9-10-17(14-19(15)21)22-20(24)16-7-6-8-18(13-16)27(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyVUHIXHDXSFLTMM-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)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-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
N-(3,5-difluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 87031517
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 98405237
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide (CID 9119993) is 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1F.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is VUHIXHDXSFLTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-15-9-10-17(14-19(15)21)22-20(24)16-7-6-8-18(13-16)27(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide?
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 390.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 9119993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).