N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide

C13H16F3NO2S — CID 78787053

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c1-4-17(9-10(2)3)20(18,19)12-8-6-5-7-11(12)13(14,15)16/h5-8H,2,4,9H2,1,3H3
InChIKeyKYASKGJGFPWJTQ-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.29
Rot. Bonds5

About N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 78787053) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID78787053
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c1-4-17(9-10(2)3)20(18,19)12-8-6-5-7-11(12)13(14,15)16/h5-8H,2,4,9H2,1,3H3
InChIKeyKYASKGJGFPWJTQ-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18080138
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
N-(2-bromoethyl)-N-butyl-2-(trifluoromethyl)benzenesulfonamide
CID 80669345
2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 7902269
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55663353
N,N-diethylethanamine;2-(trifluoromethyl)benzenesulfonic acid
CID 175841862
2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30329088
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 62008042
N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide
CID 115622116
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide (CID 78787053) is N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KYASKGJGFPWJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c1-4-17(9-10(2)3)20(18,19)12-8-6-5-7-11(12)13(14,15)16/h5-8H,2,4,9H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 307.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 78787053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).