1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide

C19H22N2O3S — CID 43926596

IUPAC1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C19H22N2O3S/c1-14-8-6-11-17(15(14)2)20-19(22)18-12-7-13-21(18)25(23,24)16-9-4-3-5-10-16/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,20,22)
InChIKeyTZJBVGDDIAJKBY-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.10
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 43926596) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID43926596
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C19H22N2O3S/c1-14-8-6-11-17(15(14)2)20-19(22)18-12-7-13-21(18)25(23,24)16-9-4-3-5-10-16/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,20,22)
InChIKeyTZJBVGDDIAJKBY-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 1143211
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
(3R)-2-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075316
(2S)-N-(3-acetamido-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24673596
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
(2R)-N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 51684558
(2S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 41231785
1-(benzenesulfonyl)-N-(2-ethyl-6-methylphenyl)piperidine-2-carboxamide
CID 5003756
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide (CID 43926596) is 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide is Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is TZJBVGDDIAJKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-8-6-11-17(15(14)2)20-19(22)18-12-7-13-21(18)25(23,24)16-9-4-3-5-10-16/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43926596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).