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

C19H21ClN2O3S — CID 2665161

IUPAC4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-6-5-7-17(14-16)21-19(23)15-8-10-18(11-9-15)26(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,23)
InChIKeyFBCAAGTVNGHYEG-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.16
Rot. Bonds4

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

4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide (PubChem CID 2665161) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
PubChem CID2665161
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-6-5-7-17(14-16)21-19(23)15-8-10-18(11-9-15)26(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,23)
InChIKeyFBCAAGTVNGHYEG-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)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

4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5101960
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349213
1-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680441
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide (CID 2665161) is 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide?
The InChIKey is FBCAAGTVNGHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-16-6-5-7-17(14-16)21-19(23)15-8-10-18(11-9-15)26(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,23).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide has a molecular weight of 392.91 g/mol, XLogP of 4.16, 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-chlorophenyl)benzamide is sourced from PubChem (CID 2665161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).