1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

C17H16ClFN2O3S — CID 4034649

IUPAC1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-12-3-9-15(10-4-12)25(23,24)21-11-1-2-16(21)17(22)20-14-7-5-13(19)6-8-14/h3-10,16H,1-2,11H2,(H,20,22)
InChIKeyXHVACESVVBVCTB-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 4034649) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID4034649
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-12-3-9-15(10-4-12)25(23,24)21-11-1-2-16(21)17(22)20-14-7-5-13(19)6-8-14/h3-10,16H,1-2,11H2,(H,20,22)
InChIKeyXHVACESVVBVCTB-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 8779936
1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 40797428
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 132667017

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide (CID 4034649) is 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is XHVACESVVBVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-12-3-9-15(10-4-12)25(23,24)21-11-1-2-16(21)17(22)20-14-7-5-13(19)6-8-14/h3-10,16H,1-2,11H2,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 382.84 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4034649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).