N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

C8H10F3NO2S — CID 162582621

IUPACN-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO2S/c1-12-15(13,14)7-4-2-6(3-5-7)8(9,10)11/h2-4,7,12H,5H2,1H3
InChIKeyYURUMVVJRNVAMU-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.35
Rot. Bonds2

About N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 162582621) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID162582621
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC NameN-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO2S/c1-12-15(13,14)7-4-2-6(3-5-7)8(9,10)11/h2-4,7,12H,5H2,1H3
InChIKeyYURUMVVJRNVAMU-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (CID 162582621) is N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is CNS(=O)(=O)C1C=CC(C(F)(F)F)=CC1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is YURUMVVJRNVAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-12-15(13,14)7-4-2-6(3-5-7)8(9,10)11/h2-4,7,12H,5H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 241.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 162582621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).