3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide

C24H31ClN2O3S — CID 100719790

IUPAC3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide
SMILESCCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C24H31ClN2O3S/c1-3-18-9-10-19(4-2)21(15-18)17-26-24(28)20-11-12-22(25)23(16-20)31(29,30)27-13-7-5-6-8-14-27/h9-12,15-16H,3-8,13-14,17H2,1-2H3,(H,26,28)
InChIKeyFVEROXKYSYNPOU-UHFFFAOYSA-N
MW463.04 g/mol
LogP4.96
Rot. Bonds7

About 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide

3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide (PubChem CID 100719790) has the molecular formula C24H31ClN2O3S and a molecular weight of 463.04 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide
PubChem CID100719790
Molecular FormulaC24H31ClN2O3S
Molecular Weight463.04 g/mol
Exact Mass462.17
IUPAC Name3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide
SMILESCCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C24H31ClN2O3S/c1-3-18-9-10-19(4-2)21(15-18)17-26-24(28)20-11-12-22(25)23(16-20)31(29,30)27-13-7-5-6-8-14-27/h9-12,15-16H,3-8,13-14,17H2,1-2H3,(H,26,28)
InChIKeyFVEROXKYSYNPOU-UHFFFAOYSA-N
XLogP4.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.04
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)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-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
4-chloro-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
CID 2524943
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2704676
4-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17482722
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 24589970
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
3-(azepan-1-ylsulfonyl)-4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 38008845
4-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 30873246

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide (CID 100719790) is 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide is CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide?
The InChIKey is FVEROXKYSYNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3S/c1-3-18-9-10-19(4-2)21(15-18)17-26-24(28)20-11-12-22(25)23(16-20)31(29,30)27-13-7-5-6-8-14-27/h9-12,15-16H,3-8,13-14,17H2,1-2H3,(H,26,28).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide?
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide has a molecular weight of 463.04 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide is sourced from PubChem (CID 100719790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).