2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone

C20H23ClN2O3S — CID 110825269

IUPAC2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-17-7-5-16(6-8-17)20(24)15-22-18-9-11-19(12-10-18)27(25,26)23-13-3-1-2-4-14-23/h5-12,22H,1-4,13-15H2
InChIKeyQCEKDTKHOZOXCZ-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.20
Rot. Bonds6

About 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone

2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone (PubChem CID 110825269) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
PubChem CID110825269
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-17-7-5-16(6-8-17)20(24)15-22-18-9-11-19(12-10-18)27(25,26)23-13-3-1-2-4-14-23/h5-12,22H,1-4,13-15H2
InChIKeyQCEKDTKHOZOXCZ-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone 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

2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824089
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone
CID 110825251
2-(3-chloro-4-methoxyanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824050
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
2-(3-methylanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824087
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
2-(3-acetylanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824072

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone (CID 110825269) is 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone is O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone?
The InChIKey is QCEKDTKHOZOXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-17-7-5-16(6-8-17)20(24)15-22-18-9-11-19(12-10-18)27(25,26)23-13-3-1-2-4-14-23/h5-12,22H,1-4,13-15H2.
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone?
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone has a molecular weight of 406.94 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 110825269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).