(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide

C17H15ClF2N2O3S — CID 8779936

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O3S/c18-11-3-6-13(7-4-11)26(24,25)22-9-1-2-16(22)17(23)21-15-8-5-12(19)10-14(15)20/h3-8,10,16H,1-2,9H2,(H,21,23)/t16-/m0/s1
InChIKeyZHRHRMSFFHWSJW-INIZCTEOSA-N
MW400.83 g/mol
LogP3.41
Rot. Bonds4

About (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 8779936) has the molecular formula C17H15ClF2N2O3S and a molecular weight of 400.83 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
PubChem CID8779936
Molecular FormulaC17H15ClF2N2O3S
Molecular Weight400.83 g/mol
Exact Mass400.05
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O3S/c18-11-3-6-13(7-4-11)26(24,25)22-9-1-2-16(22)17(23)21-15-8-5-12(19)10-14(15)20/h3-8,10,16H,1-2,9H2,(H,21,23)/t16-/m0/s1
InChIKeyZHRHRMSFFHWSJW-INIZCTEOSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468417
(2S)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468418
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 92887697
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide (CID 8779936) is (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZHRHRMSFFHWSJW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3S/c18-11-3-6-13(7-4-11)26(24,25)22-9-1-2-16(22)17(23)21-15-8-5-12(19)10-14(15)20/h3-8,10,16H,1-2,9H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 400.83 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 8779936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).