2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C13H9F4NO2S — CID 5088355

IUPAC2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C13H9F4NO2S/c14-11-6-1-2-7-12(11)21(19,20)18-10-5-3-4-9(8-10)13(15,16)17/h1-8,18H
InChIKeyWMARQXXBOSABFB-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.65
Rot. Bonds3

About 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 5088355) has the molecular formula C13H9F4NO2S and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID5088355
Molecular FormulaC13H9F4NO2S
Molecular Weight319.28 g/mol
Exact Mass319.03
IUPAC Name2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C13H9F4NO2S/c14-11-6-1-2-7-12(11)21(19,20)18-10-5-3-4-9(8-10)13(15,16)17/h1-8,18H
InChIKeyWMARQXXBOSABFB-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[3-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3867857
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 170943949
2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169308185
8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
CID 39824401
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 106057279
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 5088355) is 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is WMARQXXBOSABFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2S/c14-11-6-1-2-7-12(11)21(19,20)18-10-5-3-4-9(8-10)13(15,16)17/h1-8,18H.
What are the key properties of 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 319.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 5088355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).