N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide

C10H11F4NO2S — CID 102173727

IUPACN-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(F)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F4NO2S/c1-7(11)6-15-18(16,17)9-4-2-8(3-5-9)10(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyYTJBJYXUSZFWJM-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.34
Rot. Bonds4

About N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 102173727) has the molecular formula C10H11F4NO2S and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID102173727
Molecular FormulaC10H11F4NO2S
Molecular Weight285.26 g/mol
Exact Mass285.04
IUPAC NameN-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(F)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F4NO2S/c1-7(11)6-15-18(16,17)9-4-2-8(3-5-9)10(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyYTJBJYXUSZFWJM-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
4-(2-Aminoethyl)Benzenesulfonyl Fluoride
CID 1701
N-Ethyl-o-toluenesulfonamide
CID 14110
N-cyclopropyl-4-methylbenzene-1-sulfonamide
CID 4190095
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
4-(Trifluoromethyl)benzenesulfonamide
CID 70018
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide (CID 102173727) is N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide is CC(F)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YTJBJYXUSZFWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2S/c1-7(11)6-15-18(16,17)9-4-2-8(3-5-9)10(12,13)14/h2-5,7,15H,6H2,1H3.
What are the key properties of N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 285.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 102173727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).