N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

C13H18N2O3S — CID 135006273

IUPACN-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-11-5-7-12(8-6-11)19(17,18)14(2)13(16)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyZJRCEQYQGYXZFJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.83
Rot. Bonds2

About N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (PubChem CID 135006273) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
PubChem CID135006273
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-11-5-7-12(8-6-11)19(17,18)14(2)13(16)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyZJRCEQYQGYXZFJ-UHFFFAOYSA-N
XLogP1.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
(2S)-3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 14236032
N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 17247239
N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
CID 34217753
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide
CID 16804331
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995385
N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47065076

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (CID 135006273) is N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is Cc1ccc(S(=O)(=O)N(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The InChIKey is ZJRCEQYQGYXZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-11-5-7-12(8-6-11)19(17,18)14(2)13(16)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 135006273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).