N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide

C20H23ClN2O3S — CID 2213121

IUPACN-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCCC1
InChIInChI=1S/C20H23ClN2O3S/c21-18-6-5-7-19(14-18)27(25,26)22-15-16-8-10-17(11-9-16)20(24)23-12-3-1-2-4-13-23/h5-11,14,22H,1-4,12-13,15H2
InChIKeyAYMXKPNHPNLPJJ-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.83
Rot. Bonds5

About N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide

N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide (PubChem CID 2213121) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
PubChem CID2213121
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCCC1
InChIInChI=1S/C20H23ClN2O3S/c21-18-6-5-7-19(14-18)27(25,26)22-15-16-8-10-17(11-9-16)20(24)23-12-3-1-2-4-13-23/h5-11,14,22H,1-4,12-13,15H2
InChIKeyAYMXKPNHPNLPJJ-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 N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide 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-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32684364
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3549443
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide (CID 2213121) is N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide is O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCCC1.
What is the InChIKey of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide?
The InChIKey is AYMXKPNHPNLPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-18-6-5-7-19(14-18)27(25,26)22-15-16-8-10-17(11-9-16)20(24)23-12-3-1-2-4-13-23/h5-11,14,22H,1-4,12-13,15H2.
What are the key properties of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide?
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide 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 N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 2213121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).