N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

C16H23ClN2O3S — CID 113144037

IUPACN-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCc1ccc(Cl)cc1N(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-13-6-7-14(17)12-15(13)19(23(2,21)22)11-8-16(20)18-9-4-3-5-10-18/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyRCJVQWJIHHGYFO-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.82
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 113144037) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID113144037
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCc1ccc(Cl)cc1N(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-13-6-7-14(17)12-15(13)19(23(2,21)22)11-8-16(20)18-9-4-3-5-10-18/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyRCJVQWJIHHGYFO-UHFFFAOYSA-N
XLogP2.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 113142063
N-(3-chloro-2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113143965
N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113146031
N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113144245
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
N-(2,4-dichlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146493
N-(5-chloro-2-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144392
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethoxyphenyl)methanesulfonamide
CID 113145157
methyl 4-chloro-3-[methylsulfonyl-(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzoate
CID 113145674
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 113145116
ethyl 2-[methylsulfonyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 113146683

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (CID 113144037) is N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is Cc1ccc(Cl)cc1N(CCC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is RCJVQWJIHHGYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-13-6-7-14(17)12-15(13)19(23(2,21)22)11-8-16(20)18-9-4-3-5-10-18/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 358.89 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113144037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).