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

C20H24N2O3S — CID 71904572

IUPAC4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-7-6-8-18(15-16)21-20(23)17-9-11-19(12-10-17)26(24,25)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14H2,1H3,(H,21,23)
InChIKeyGGFMJXBOFAKMTK-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.81
Rot. Bonds4

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

4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide (PubChem CID 71904572) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
PubChem CID71904572
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-7-6-8-18(15-16)21-20(23)17-9-11-19(12-10-17)26(24,25)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14H2,1H3,(H,21,23)
InChIKeyGGFMJXBOFAKMTK-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylphenyl)benzamide
CID 9179296
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide (CID 71904572) is 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
The InChIKey is GGFMJXBOFAKMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-7-6-8-18(15-16)21-20(23)17-9-11-19(12-10-17)26(24,25)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14H2,1H3,(H,21,23).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 71904572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).