4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide

C11H14F3NO2S — CID 138979627

IUPAC4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2S/c1-9-3-5-10(6-4-9)18(16,17)15-8-2-7-11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyONLOFAOHCUTDMW-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.62
Rot. Bonds5

About 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide

4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide (PubChem CID 138979627) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
PubChem CID138979627
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2S/c1-9-3-5-10(6-4-9)18(16,17)15-8-2-7-11(12,13)14/h3-6,15H,2,7-8H2,1H3
InChIKeyONLOFAOHCUTDMW-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958441
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
3-[(4-methylphenyl)sulfonylamino]propyl trifluoromethanesulfonate
CID 10992051
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
CID 115521683
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
CID 115522012
1-methyl-4-(4,4,4-trifluorobutylsulfonyl)benzene
CID 129132136
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
3-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide (CID 138979627) is 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
The InChIKey is ONLOFAOHCUTDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-9-3-5-10(6-4-9)18(16,17)15-8-2-7-11(12,13)14/h3-6,15H,2,7-8H2,1H3.
What are the key properties of 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide?
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide is sourced from PubChem (CID 138979627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).