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

C10H11F4NO2S — CID 102173727

IUPACN-(2-fluoropropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)F
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
LogP2.50
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(CNS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)F
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
XLogP2.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity355

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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(CNS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)F.
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 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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).