4-[2-(trifluoromethyl)anilino]benzenesulfonamide

C13H11F3N2O2S — CID 70011968

IUPAC4-[2-(trifluoromethyl)anilino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)11-3-1-2-4-12(11)18-9-5-7-10(8-6-9)21(17,19)20/h1-8,18H,(H2,17,19,20)
InChIKeyOJCSBLNQXVDACL-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.10
Rot. Bonds3

About 4-[2-(trifluoromethyl)anilino]benzenesulfonamide

4-[2-(trifluoromethyl)anilino]benzenesulfonamide (PubChem CID 70011968) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)anilino]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)anilino]benzenesulfonamide
PubChem CID70011968
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name4-[2-(trifluoromethyl)anilino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)11-3-1-2-4-12(11)18-9-5-7-10(8-6-9)21(17,19)20/h1-8,18H,(H2,17,19,20)
InChIKeyOJCSBLNQXVDACL-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
The IUPAC name of 4-[2-(trifluoromethyl)anilino]benzenesulfonamide (CID 70011968) is 4-[2-(trifluoromethyl)anilino]benzenesulfonamide.
What is the SMILES notation for 4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
The canonical SMILES for 4-[2-(trifluoromethyl)anilino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
The InChIKey is OJCSBLNQXVDACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)11-3-1-2-4-12(11)18-9-5-7-10(8-6-9)21(17,19)20/h1-8,18H,(H2,17,19,20).
What are the key properties of 4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
4-[2-(trifluoromethyl)anilino]benzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)anilino]benzenesulfonamide is sourced from PubChem (CID 70011968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).