(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

C17H17FN2O3S — CID 97354940

IUPAC(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H17FN2O3S/c18-13-6-8-14(9-7-13)19-17(21)20-11-10-16(12-20)24(22,23)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,19,21)/t16-/m0/s1
InChIKeyKNRPIULFWYCUDA-INIZCTEOSA-N
MW348.40 g/mol
LogP2.91
Rot. Bonds3

About (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 97354940) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID97354940
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H17FN2O3S/c18-13-6-8-14(9-7-13)19-17(21)20-11-10-16(12-20)24(22,23)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,19,21)/t16-/m0/s1
InChIKeyKNRPIULFWYCUDA-INIZCTEOSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
CID 90589813
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 90584821
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 90586698
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 97354940) is (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is KNRPIULFWYCUDA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-13-6-8-14(9-7-13)19-17(21)20-11-10-16(12-20)24(22,23)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97354940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).