N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide

C10H12F3NO2S — CID 60640821

IUPACN-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-7-17(15,16)14-9-6-4-3-5-8(9)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyJCXPQAYUTUFVJL-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide

N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide (PubChem CID 60640821) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide
PubChem CID60640821
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC NameN-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-7-17(15,16)14-9-6-4-3-5-8(9)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyJCXPQAYUTUFVJL-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylamino)-N-[2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 106057256
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 174529363
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline
CID 12503957
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide
CID 67575937
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 172746934

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide (CID 60640821) is N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The InChIKey is JCXPQAYUTUFVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-7-17(15,16)14-9-6-4-3-5-8(9)10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide?
N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 60640821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).