N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

C14H11F4NO2S — CID 5013435

IUPACN-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C14H11F4NO2S/c1-9-5-7-10(8-6-9)22(20,21)19-12-4-2-3-11(13(12)15)14(16,17)18/h2-8,19H,1H3
InChIKeyCOHKRSQMNICPRM-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.95
Rot. Bonds3

About N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 5013435) has the molecular formula C14H11F4NO2S and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID5013435
Molecular FormulaC14H11F4NO2S
Molecular Weight333.31 g/mol
Exact Mass333.04
IUPAC NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C14H11F4NO2S/c1-9-5-7-10(8-6-9)22(20,21)19-12-4-2-3-11(13(12)15)14(16,17)18/h2-8,19H,1H3
InChIKeyCOHKRSQMNICPRM-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]-3-methylbenzenesulfonamide
CID 3811845
4-methyl-N-[2-nitro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 102196173
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
N-[5-bromo-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370041
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-(3-fluoro-2-formylphenyl)-4-methylbenzenesulfonamide
CID 132509796
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-(3-chloro-2-cyanophenoxy)-N-[2-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3816310
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 169372704
N-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-2-methylphenyl]-4-methylbenzenesulfonamide
CID 169373206

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 5013435) is N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2F)cc1.
What is the InChIKey of N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is COHKRSQMNICPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S/c1-9-5-7-10(8-6-9)22(20,21)19-12-4-2-3-11(13(12)15)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5013435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).