5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide

C20H23ClN2O3S — CID 1266192

IUPAC5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-6-9-17(10-7-15)22-27(25,26)19-14-16(8-11-18(19)21)20(24)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3
InChIKeyKUGCAFWNYDWSBG-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.47
Rot. Bonds4

About 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide

5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 1266192) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID1266192
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-6-9-17(10-7-15)22-27(25,26)19-14-16(8-11-18(19)21)20(24)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3
InChIKeyKUGCAFWNYDWSBG-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2986770
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767221

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide (CID 1266192) is 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)cc1.
What is the InChIKey of 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is KUGCAFWNYDWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-6-9-17(10-7-15)22-27(25,26)19-14-16(8-11-18(19)21)20(24)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3.
What are the key properties of 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide?
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 1266192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).