4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C17H18F3NO2S — CID 22774180

IUPAC4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3NO2S/c1-12(2)10-13-6-8-16(9-7-13)24(22,23)21-15-5-3-4-14(11-15)17(18,19)20/h3-9,11-12,21H,10H2,1-2H3
InChIKeySTJLFKPNKWQLLP-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.70
Rot. Bonds5

About 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 22774180) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID22774180
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3NO2S/c1-12(2)10-13-6-8-16(9-7-13)24(22,23)21-15-5-3-4-14(11-15)17(18,19)20/h3-9,11-12,21H,10H2,1-2H3
InChIKeySTJLFKPNKWQLLP-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
1-[[4-(sulfinatoamino)phenyl]sulfonylamino]-3-(trifluoromethyl)benzene
CID 162773483
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 22774180) is 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is STJLFKPNKWQLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c1-12(2)10-13-6-8-16(9-7-13)24(22,23)21-15-5-3-4-14(11-15)17(18,19)20/h3-9,11-12,21H,10H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22774180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).