N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide

C17H17F4NO2S — CID 18286971

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C17H17F4NO2S/c1-11(2)16(12-6-8-14(18)9-7-12)22-25(23,24)15-5-3-4-13(10-15)17(19,20)21/h3-11,16,22H,1-2H3
InChIKeyXLMYITMABUMLHE-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.52
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 18286971) has the molecular formula C17H17F4NO2S and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID18286971
Molecular FormulaC17H17F4NO2S
Molecular Weight375.39 g/mol
Exact Mass375.09
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C17H17F4NO2S/c1-11(2)16(12-6-8-14(18)9-7-12)22-25(23,24)15-5-3-4-13(10-15)17(19,20)21/h3-11,16,22H,1-2H3
InChIKeyXLMYITMABUMLHE-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
methyl 8-(4-fluorophenyl)-8-[[3-(trifluoromethyl)phenyl]sulfonylamino]octanoate
CID 139616929
1-(1-chloroethylsulfonyl)-3-(trifluoromethyl)benzene
CID 140553640
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 26544292
(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 129453548
(2S,3R)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2341191
N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
CID 47121983
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 112768441

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide (CID 18286971) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide is CC(C)C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XLMYITMABUMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4NO2S/c1-11(2)16(12-6-8-14(18)9-7-12)22-25(23,24)15-5-3-4-13(10-15)17(19,20)21/h3-11,16,22H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 18286971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).