1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C17H19N3O3S — CID 42890844

IUPAC1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19N3O3S/c1-13-9-10-18-16(12-13)19-17(21)15-8-5-11-20(15)24(22,23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19,21)
InChIKeyWAYWDYJWILUJCD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.18
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 42890844) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID42890844
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19N3O3S/c1-13-9-10-18-16(12-13)19-17(21)15-8-5-11-20(15)24(22,23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19,21)
InChIKeyWAYWDYJWILUJCD-UHFFFAOYSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 159988634
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 46651644
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43926596
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
CID 167955369
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(benzenesulfonyl)-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 78851954
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 42890844) is 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is Cc1ccnc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is WAYWDYJWILUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-9-10-18-16(12-13)19-17(21)15-8-5-11-20(15)24(22,23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19,21).
What are the key properties of 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42890844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).