N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide

C16H23ClN2O3S — CID 1148702

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-13-7-8-14(17)11-15(13)19(23(2,21)22)12-16(20)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyWZVOJFSDCVIPDP-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide (PubChem CID 1148702) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide
PubChem CID1148702
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-13-7-8-14(17)11-15(13)19(23(2,21)22)12-16(20)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyWZVOJFSDCVIPDP-UHFFFAOYSA-N
XLogP2.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 815970
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-o-tolyl-methanesulfonamide
CID 2898569
1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine
CID 900483
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018
n-[2-(Azepan-1-yl)-2-oxoethyl]-n-(4-chlorophenyl)methanesulfonamide
CID 881610
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)methanesulfonamide
CID 1231480
N~1~-(3-chloro-2-methylphenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1287742
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314080
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide
CID 2897602
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-m-tolyl-methanesulfonamide
CID 1137152

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide (CID 1148702) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide is Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide?
The InChIKey is WZVOJFSDCVIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-13-7-8-14(17)11-15(13)19(23(2,21)22)12-16(20)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide has a molecular weight of 358.89 g/mol, XLogP of 2.82, 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-(5-chloro-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 1148702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).