N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide

C15H21ClN2O3S — CID 881610

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18(14-8-6-13(16)7-9-14)12-15(19)17-10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3
InChIKeyTVSZCWUWEHGSIC-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide (PubChem CID 881610) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide
PubChem CID881610
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18(14-8-6-13(16)7-9-14)12-15(19)17-10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3
InChIKeyTVSZCWUWEHGSIC-UHFFFAOYSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(2-chlorophenyl)methanesulfonamido]-N-phenylacetamide
CID 4384110
N-(4-Chloro-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846651
2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 4879550
4-(Azepan-1-yl)-1-(4-chlorophenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 11637867
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 816034
N~2~-(3-chloro-4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 967375
N~2~-(3-chloro-4-fluorophenyl)-N~1~,N~1~-dimethyl-N~2~-(methylsulfonyl)glycinamide
CID 973962
N-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-cyclohexyl-methanesulfonamide
CID 1021986
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide
CID 1148702
N~2~-cyclohexyl-N~1~-(3,4-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 1293322
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 1304744
N-(3-chlorophenyl)-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide
CID 2290501

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide (CID 881610) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide?
The InChIKey is TVSZCWUWEHGSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-22(20,21)18(14-8-6-13(16)7-9-14)12-15(19)17-10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 881610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).