N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide

C12H15F3N2O2S — CID 65418983

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)10-3-1-9(2-4-10)7-17-20(18,19)11-5-6-16-8-11/h1-4,11,16-17H,5-8H2
InChIKeyNQZVHTJUAKDSHO-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.49
Rot. Bonds4

About N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide

N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide (PubChem CID 65418983) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide
PubChem CID65418983
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)10-3-1-9(2-4-10)7-17-20(18,19)11-5-6-16-8-11/h1-4,11,16-17H,5-8H2
InChIKeyNQZVHTJUAKDSHO-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide (CID 65418983) is N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)cc1)C1CCNC1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide?
The InChIKey is NQZVHTJUAKDSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)10-3-1-9(2-4-10)7-17-20(18,19)11-5-6-16-8-11/h1-4,11,16-17H,5-8H2.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide?
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide has a molecular weight of 308.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65418983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).