N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H12F3NO3S2 — CID 14536122

IUPACN-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NO3S2/c1-22(19)13-8-3-2-7-12(13)18-23(20,21)11-6-4-5-10(9-11)14(15,16)17/h2-9,18H,1H3
InChIKeySLPXMPFMXBNRIO-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.24
Rot. Bonds4

About N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14536122) has the molecular formula C14H12F3NO3S2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14536122
Molecular FormulaC14H12F3NO3S2
Molecular Weight363.38 g/mol
Exact Mass363.02
IUPAC NameN-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NO3S2/c1-22(19)13-8-3-2-7-12(13)18-23(20,21)11-6-4-5-10(9-11)14(15,16)17/h2-9,18H,1H3
InChIKeySLPXMPFMXBNRIO-UHFFFAOYSA-N
XLogP3.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536162
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90707974
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 14536122) is N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CS(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SLPXMPFMXBNRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S2/c1-22(19)13-8-3-2-7-12(13)18-23(20,21)11-6-4-5-10(9-11)14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 363.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14536122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).