N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

C14H15F3N2O3S — CID 95985260

IUPACN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1C1CC1
InChIInChI=1S/C14H15F3N2O3S/c15-14(16,17)9-1-5-12(6-2-9)23(21,22)18-10-7-13(20)19(8-10)11-3-4-11/h1-2,5-6,10-11,18H,3-4,7-8H2/t10-/m1/s1
InChIKeySNFDSHYPEQKGHC-SNVBAGLBSA-N
MW348.35 g/mol
LogP1.75
Rot. Bonds4

About N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 95985260) has the molecular formula C14H15F3N2O3S and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID95985260
Molecular FormulaC14H15F3N2O3S
Molecular Weight348.35 g/mol
Exact Mass348.08
IUPAC NameN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1C1CC1
InChIInChI=1S/C14H15F3N2O3S/c15-14(16,17)9-1-5-12(6-2-9)23(21,22)18-10-7-13(20)19(8-10)11-3-4-11/h1-2,5-6,10-11,18H,3-4,7-8H2/t10-/m1/s1
InChIKeySNFDSHYPEQKGHC-SNVBAGLBSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719814
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719783
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
CID 95985258
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide
CID 11544020
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 95985260) is N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is O=C1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1C1CC1.
What is the InChIKey of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SNFDSHYPEQKGHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15F3N2O3S/c15-14(16,17)9-1-5-12(6-2-9)23(21,22)18-10-7-13(20)19(8-10)11-3-4-11/h1-2,5-6,10-11,18H,3-4,7-8H2/t10-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 348.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 95985260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).