3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide

C14H16FN5O3S — CID 121150849

IUPAC3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(F)c1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C14H16FN5O3S/c15-11-2-1-3-13(8-11)24(22,23)17-9-14(21)19-6-4-12(10-19)20-7-5-16-18-20/h1-3,5,7-8,12,17H,4,6,9-10H2
InChIKeyCOEFNPNCGMDISZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.17
Rot. Bonds5

About 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide

3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 121150849) has the molecular formula C14H16FN5O3S and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
PubChem CID121150849
Molecular FormulaC14H16FN5O3S
Molecular Weight353.38 g/mol
Exact Mass353.10
IUPAC Name3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(F)c1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C14H16FN5O3S/c15-11-2-1-3-13(8-11)24(22,23)17-9-14(21)19-6-4-12(10-19)20-7-5-16-18-20/h1-3,5,7-8,12,17H,4,6,9-10H2
InChIKeyCOEFNPNCGMDISZ-UHFFFAOYSA-N
XLogP0.17
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[3-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 121150864
2,6-difluoro-N-[3-oxo-3-[3-(triazol-1-yl)pyrrolidin-1-yl]propyl]benzenesulfonamide
CID 121150862
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151444
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877381
2-(4-propan-2-ylsulfonylphenyl)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150838
3-[3-(4-fluorophenoxy)phenyl]-1-[3-(triazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121150892
3-(4-fluoro-3-methylphenyl)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121150887
2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 121151174
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide (CID 121150849) is 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCC(n2ccnn2)C1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is COEFNPNCGMDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O3S/c15-11-2-1-3-13(8-11)24(22,23)17-9-14(21)19-6-4-12(10-19)20-7-5-16-18-20/h1-3,5,7-8,12,17H,4,6,9-10H2.
What are the key properties of 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 353.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 121150849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).