N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide

C12H14F3NO3S — CID 115622116

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3S/c1-2-7-16(8-9-17)20(18,19)11-6-4-3-5-10(11)12(13,14)15/h2-6,17H,1,7-9H2
InChIKeySBTCCOGXXQRGQF-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.87
Rot. Bonds6

About N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide

N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 115622116) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID115622116
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3S/c1-2-7-16(8-9-17)20(18,19)11-6-4-3-5-10(11)12(13,14)15/h2-6,17H,1,7-9H2
InChIKeySBTCCOGXXQRGQF-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 7902269
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
4-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 111117899
methyl 4-[[[2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]methyl]benzoate
CID 2444981
2-fluoro-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 115754678
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
N-(2-bromoethyl)-N-butyl-2-(trifluoromethyl)benzenesulfonamide
CID 80669345
methyl 3-[2-hydroxyethyl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylate
CID 115754700
N-(2-hydroxyethyl)-2,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
CID 115754601
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide (CID 115622116) is N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide is C=CCN(CCO)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SBTCCOGXXQRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-2-7-16(8-9-17)20(18,19)11-6-4-3-5-10(11)12(13,14)15/h2-6,17H,1,7-9H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 115622116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).