(2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

C19H25F3N2O3S — CID 11921014

IUPAC(2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H25F3N2O3S/c20-19(21,22)15-10-5-6-12-17(15)28(26,27)24-13-7-11-16(24)18(25)23-14-8-3-1-2-4-9-14/h5-6,10,12,14,16H,1-4,7-9,11,13H2,(H,23,25)/t16-/m0/s1
InChIKeyHNFIIZAWJIAPJW-INIZCTEOSA-N
MW418.48 g/mol
LogP3.70
Rot. Bonds4

About (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

(2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 11921014) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID11921014
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC Name(2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H25F3N2O3S/c20-19(21,22)15-10-5-6-12-17(15)28(26,27)24-13-7-11-16(24)18(25)23-14-8-3-1-2-4-9-14/h5-6,10,12,14,16H,1-4,7-9,11,13H2,(H,23,25)/t16-/m0/s1
InChIKeyHNFIIZAWJIAPJW-INIZCTEOSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide 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 (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 11921014) is (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is O=C(NC1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is HNFIIZAWJIAPJW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c20-19(21,22)15-10-5-6-12-17(15)28(26,27)24-13-7-11-16(24)18(25)23-14-8-3-1-2-4-9-14/h5-6,10,12,14,16H,1-4,7-9,11,13H2,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
(2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11921014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).