N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide

C11H14F3NO2S — CID 4788779

IUPACN-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-7-5-4-6-9(10)11(12,13)14/h4-8,15H,3H2,1-2H3
InChIKeyFEEPGWVDDVHDJS-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.78
Rot. Bonds4

About N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide

N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 4788779) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID4788779
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC NameN-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-7-5-4-6-9(10)11(12,13)14/h4-8,15H,3H2,1-2H3
InChIKeyFEEPGWVDDVHDJS-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
2-(Trifluoromethyl)benzenesulfonamide
CID 2778018
N-Butyl-p-toluenesulfonamide
CID 61285
N-Ethyl-o-toluenesulfonamide
CID 14110
N-cyclopropyl-4-methylbenzene-1-sulfonamide
CID 4190095
2-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 11010480
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
N-Propyl-p-toluenesulfonamide
CID 70808
p-Toluenesulfonamide, N-isobutyl-
CID 101310

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide (CID 4788779) is N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FEEPGWVDDVHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-7-5-4-6-9(10)11(12,13)14/h4-8,15H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4788779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).