1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide

C18H19ClN2O4S — CID 46482849

IUPAC1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-10-9-13(12-15(17)19)20-18(22)16-8-5-11-21(16)26(23,24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,20,22)
InChIKeyKTDPENYAUITILK-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.14
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 46482849) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID46482849
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-10-9-13(12-15(17)19)20-18(22)16-8-5-11-21(16)26(23,24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,20,22)
InChIKeyKTDPENYAUITILK-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
(2S)-1,4-bis(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperazine-2-carboxamide
CID 126189925
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
methyl 4-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023586
(2S)-1-(benzenesulfonyl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-2-carboxamide
CID 29447944
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 46482849) is 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is KTDPENYAUITILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-17-10-9-13(12-15(17)19)20-18(22)16-8-5-11-21(16)26(23,24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46482849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).