1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

C13H17ClN2O3S — CID 47305164

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-5-6-12(10(14)8-9)20(18,19)16-7-3-4-11(16)13(17)15-2/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyXKWGMIBUBPYKRB-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.55
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 47305164) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
PubChem CID47305164
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-5-6-12(10(14)8-9)20(18,19)16-7-3-4-11(16)13(17)15-2/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyXKWGMIBUBPYKRB-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305063
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112037
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61113715
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
2-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60958145
1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 60700592
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 92665106
1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258628
[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 129367282
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742383
(2S)-1-(4-bromo-2-methylphenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 91970942

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (CID 47305164) is 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XKWGMIBUBPYKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-9-5-6-12(10(14)8-9)20(18,19)16-7-3-4-11(16)13(17)15-2/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47305164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).