N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide

C14H19ClN2O3S — CID 49191872

IUPACN-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)16-13-7-6-11(15)10-12(13)14(18)17-8-4-2-3-5-9-17/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeySGJXWHPZZVMLTB-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.73
Rot. Bonds3

About N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide

N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide (PubChem CID 49191872) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
PubChem CID49191872
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)16-13-7-6-11(15)10-12(13)14(18)17-8-4-2-3-5-9-17/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeySGJXWHPZZVMLTB-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfonylbenzenesulfonamide
CID 55896274
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 60534962
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
3-chloro-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-methoxybenzenesulfonamide
CID 60534932
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
2-[4-chloro-2-(piperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607785
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
N-[2-(1,4-diazepane-1-carbonyl)-4-methylphenyl]methanesulfonamide
CID 119414359

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide (CID 49191872) is N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide?
The InChIKey is SGJXWHPZZVMLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-21(19,20)16-13-7-6-11(15)10-12(13)14(18)17-8-4-2-3-5-9-17/h6-7,10,16H,2-5,8-9H2,1H3.
What are the key properties of N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide?
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 49191872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).