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

C17H16ClFN2O3S — CID 40830483

IUPAC(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16ClFN2O3S/c18-14-11-12(8-9-15(14)19)20-17(22)16-7-4-10-21(16)25(23,24)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,22)/t16-/m1/s1
InChIKeyPQDSXJRERRVTAV-MRXNPFEDSA-N
MW382.84 g/mol
LogP3.27
Rot. Bonds4

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

(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 40830483) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID40830483
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16ClFN2O3S/c18-14-11-12(8-9-15(14)19)20-17(22)16-7-4-10-21(16)25(23,24)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,22)/t16-/m1/s1
InChIKeyPQDSXJRERRVTAV-MRXNPFEDSA-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

1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
(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
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2-carboxamide
CID 11924079
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487039

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide (CID 40830483) is (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is PQDSXJRERRVTAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-14-11-12(8-9-15(14)19)20-17(22)16-7-4-10-21(16)25(23,24)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-(3-chloro-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 (2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 40830483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).