3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

C16H13F3N2O3S — CID 95101488

IUPAC3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1c1ccc(F)cc1
InChIInChI=1S/C16H13F3N2O3S/c17-10-1-3-11(4-2-10)21-8-7-15(16(21)22)20-25(23,24)12-5-6-13(18)14(19)9-12/h1-6,9,15,20H,7-8H2/t15-/m1/s1
InChIKeyCYHFLWXLEPLSAX-OAHLLOKOSA-N
MW370.35 g/mol
LogP2.19
Rot. Bonds4

About 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 95101488) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID95101488
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC Name3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1c1ccc(F)cc1
InChIInChI=1S/C16H13F3N2O3S/c17-10-1-3-11(4-2-10)21-8-7-15(16(21)22)20-25(23,24)12-5-6-13(18)14(19)9-12/h1-6,9,15,20H,7-8H2/t15-/m1/s1
InChIKeyCYHFLWXLEPLSAX-OAHLLOKOSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenesulfonamide, 4-(2-oxo-1-pyrrolidinyl)-
CID 215697
5-oxo-1-phenyl-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17080567
N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
CID 900314
5-[(2,4-difluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814935
5-[(3-fluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814937
1-Phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-2,5-pyrrolidinedione
CID 3571362
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372090
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372095
4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propylbenzenesulfonamide
CID 89699688
Benzenesulfonamide, 3-fluoro-4-(5-oxo-3-phenyl-1-imidazolidinyl)-
CID 3041004
4-fluoro-N-[4-(2-oxo-1-pyrrolidinyl)benzyl]benzenesulfonamide
CID 934461

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (CID 95101488) is 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is O=C1[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1c1ccc(F)cc1.
What is the InChIKey of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is CYHFLWXLEPLSAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c17-10-1-3-11(4-2-10)21-8-7-15(16(21)22)20-25(23,24)12-5-6-13(18)14(19)9-12/h1-6,9,15,20H,7-8H2/t15-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 370.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95101488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).