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

C14H11F4NO2S — CID 3811845

IUPACN-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2F)c1
InChIInChI=1S/C14H11F4NO2S/c1-9-4-2-5-10(8-9)22(20,21)19-12-7-3-6-11(13(12)15)14(16,17)18/h2-8,19H,1H3
InChIKeyNEFBPSCOCJXSNY-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.95
Rot. Bonds3

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

N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 3811845) has the molecular formula C14H11F4NO2S and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
PubChem CID3811845
Molecular FormulaC14H11F4NO2S
Molecular Weight333.31 g/mol
Exact Mass333.04
IUPAC NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2F)c1
InChIInChI=1S/C14H11F4NO2S/c1-9-4-2-5-10(8-9)22(20,21)19-12-7-3-6-11(13(12)15)14(16,17)18/h2-8,19H,1H3
InChIKeyNEFBPSCOCJXSNY-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 5013435
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
4-methyl-N-[2-nitro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 102196173
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide (CID 3811845) is N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2F)c1.
What is the InChIKey of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is NEFBPSCOCJXSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S/c1-9-4-2-5-10(8-9)22(20,21)19-12-7-3-6-11(13(12)15)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide?
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 333.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3811845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).