N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide

C11H14F3NO3S — CID 31065703

IUPACN-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(2)7-15-19(16,17)10-6-4-3-5-9(10)18-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyWSNSMGIASIAQAZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.52
Rot. Bonds5

About N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 31065703) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID31065703
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC NameN-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(2)7-15-19(16,17)10-6-4-3-5-9(10)18-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyWSNSMGIASIAQAZ-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3689825
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 99979776
N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55511769
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 31065703) is N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WSNSMGIASIAQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-8(2)7-15-19(16,17)10-6-4-3-5-9(10)18-11(12,13)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 31065703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).