N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C12H12F3N3O2S — CID 68796644

IUPACN-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESN#C[C@@]1(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C12H12F3N3O2S/c13-12(14,15)9-2-1-3-10(6-9)21(19,20)18-11(7-16)4-5-17-8-11/h1-3,6,17-18H,4-5,8H2/t11-/m0/s1
InChIKeyJMEJGBNMSRALMY-NSHDSACASA-N
MW319.31 g/mol
LogP1.24
Rot. Bonds3

About N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 68796644) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID68796644
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESN#C[C@@]1(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C12H12F3N3O2S/c13-12(14,15)9-2-1-3-10(6-9)21(19,20)18-11(7-16)4-5-17-8-11/h1-3,6,17-18H,4-5,8H2/t11-/m0/s1
InChIKeyJMEJGBNMSRALMY-NSHDSACASA-N
XLogP1.24
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 68796644) is N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is N#C[C@@]1(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCNC1.
What is the InChIKey of N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JMEJGBNMSRALMY-NSHDSACASA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c13-12(14,15)9-2-1-3-10(6-9)21(19,20)18-11(7-16)4-5-17-8-11/h1-3,6,17-18H,4-5,8H2/t11-/m0/s1.
What are the key properties of N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 319.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-cyanopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 68796644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).