N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C15H21ClN2O4S — CID 999494

IUPACN-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-7-6-12(16)10-13(14)18(23(2,20)21)11-15(19)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyJPSMBTWVXQMLFG-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.13
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 999494) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID999494
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-7-6-12(16)10-13(14)18(23(2,20)21)11-15(19)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyJPSMBTWVXQMLFG-UHFFFAOYSA-N
XLogP2.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(dimethylamino)sulfonyl]phenylamino}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
N-(5-chloro-2-methoxyphenyl)-4-(methylsulfonyl)-1-piperazinecarbothioamide
CID 1294827
N-(5-chloro-2-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 2225448
N-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 2440804
N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 4594798
N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 651189
N-(5-Chloro-2-methoxy-phenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 654668
Cambridge id 6825917
CID 808127
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981
N-(2,5-dimethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1090683

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 999494) is N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is JPSMBTWVXQMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-22-14-7-6-12(16)10-13(14)18(23(2,20)21)11-15(19)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 999494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).