N-benzyl-3-(trifluoromethyl)benzenesulfonamide

C14H12F3NO2S — CID 2443202

IUPACN-benzyl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)12-7-4-8-13(9-12)21(19,20)18-10-11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyAYLPMXBJOWBNTH-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.18
Rot. Bonds4

About N-benzyl-3-(trifluoromethyl)benzenesulfonamide

N-benzyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2443202) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-benzyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2443202
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-benzyl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)12-7-4-8-13(9-12)21(19,20)18-10-11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyAYLPMXBJOWBNTH-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-(trifluoromethyl)benzenesulfonamide (CID 2443202) is N-benzyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AYLPMXBJOWBNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)12-7-4-8-13(9-12)21(19,20)18-10-11-5-2-1-3-6-11/h1-9,18H,10H2.
What are the key properties of N-benzyl-3-(trifluoromethyl)benzenesulfonamide?
N-benzyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2443202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).