3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide

C20H23ClN2O3S — CID 2597746

IUPAC3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H23ClN2O3S/c21-18-10-8-16(9-11-18)15-22-20(24)17-6-5-7-19(14-17)27(25,26)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13,15H2,(H,22,24)
InChIKeyWCBBIALOZRXGCC-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.83
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide

3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide (PubChem CID 2597746) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
PubChem CID2597746
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H23ClN2O3S/c21-18-10-8-16(9-11-18)15-22-20(24)17-6-5-7-19(14-17)27(25,26)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13,15H2,(H,22,24)
InChIKeyWCBBIALOZRXGCC-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]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

3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide (CID 2597746) is 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide is O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide?
The InChIKey is WCBBIALOZRXGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-18-10-8-16(9-11-18)15-22-20(24)17-6-5-7-19(14-17)27(25,26)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13,15H2,(H,22,24).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide?
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide has a molecular weight of 406.94 g/mol, XLogP of 3.83, 5 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-[(4-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 2597746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).