N-butyl-3-(trifluoromethyl)benzenesulfonamide

C11H14F3NO2S — CID 2483939

IUPACN-butyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2S/c1-2-3-7-15-18(16,17)10-6-4-5-9(8-10)11(12,13)14/h4-6,8,15H,2-3,7H2,1H3
InChIKeyPDPZYXBDZPXLPZ-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.78
Rot. Bonds5

About N-butyl-3-(trifluoromethyl)benzenesulfonamide

N-butyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2483939) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-butyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2483939
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC NameN-butyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2S/c1-2-3-7-15-18(16,17)10-6-4-5-9(8-10)11(12,13)14/h4-6,8,15H,2-3,7H2,1H3
InChIKeyPDPZYXBDZPXLPZ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-butyl-3-(trifluoromethyl)benzenesulfonamide (CID 2483939) is N-butyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-butyl-3-(trifluoromethyl)benzenesulfonamide is CCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-butyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PDPZYXBDZPXLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-2-3-7-15-18(16,17)10-6-4-5-9(8-10)11(12,13)14/h4-6,8,15H,2-3,7H2,1H3.
What are the key properties of N-butyl-3-(trifluoromethyl)benzenesulfonamide?
N-butyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2483939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).