(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine

C17H17F3N2O2S — CID 120767028

IUPAC(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1c1ccccc1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)14-8-4-5-9-16(14)25(23,24)22-10-13(15(21)11-22)12-6-2-1-3-7-12/h1-9,13,15H,10-11,21H2/t13-,15+/m0/s1
InChIKeyLDOYYSCXBSQSKT-DZGCQCFKSA-N
MW370.40 g/mol
LogP2.82
Rot. Bonds3

About (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine

(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine (PubChem CID 120767028) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
PubChem CID120767028
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1c1ccccc1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)14-8-4-5-9-16(14)25(23,24)22-10-13(15(21)11-22)12-6-2-1-3-7-12/h1-9,13,15H,10-11,21H2/t13-,15+/m0/s1
InChIKeyLDOYYSCXBSQSKT-DZGCQCFKSA-N
XLogP2.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 79410488
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
2-(3-amino-4-phenylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 90406021
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 90406023
4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 120766572
(3S,4R)-1-(2-bromo-3-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767178
(3S,4R)-1-(2-bromo-5-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767093
(3S,4R)-1-(4-bromo-2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767233
(3S,4R)-1-[2-(methoxymethyl)phenyl]sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766979
(3S,4R)-1-[2-(2-methoxyethoxy)phenyl]sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766564
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine (CID 120767028) is (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine is N[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
The InChIKey is LDOYYSCXBSQSKT-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)14-8-4-5-9-16(14)25(23,24)22-10-13(15(21)11-22)12-6-2-1-3-7-12/h1-9,13,15H,10-11,21H2/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine has a molecular weight of 370.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 120767028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).