5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide

C7H10FNO2S — CID 144797853

IUPAC5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC=CC(F)C1
InChIInChI=1S/C7H10FNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-4,6,9H,5H2,1H3
InChIKeyPROKQVGXRWRWLK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.72
Rot. Bonds2

About 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide

5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 144797853) has the molecular formula C7H10FNO2S and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID144797853
Molecular FormulaC7H10FNO2S
Molecular Weight191.23 g/mol
Exact Mass191.04
IUPAC Name5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC=CC(F)C1
InChIInChI=1S/C7H10FNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-4,6,9H,5H2,1H3
InChIKeyPROKQVGXRWRWLK-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Fluorocyclohexa-2,4-diene-1-sulfonamide
CID 67459447
6-Fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide
CID 69295249
5-Fluorocyclohexa-1,5-diene-1-sulfonamide
CID 89382549
4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
CID 123417701
1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
CID 91325730
(2Z,4Z)-3-fluoro-N-methylhepta-2,4-diene-2-sulfonamide
CID 141969935
N,4-dimethyl-1-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 149836130
N-methyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 162582621
N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 22282495
N-methylcyclopenta-1,4-diene-1-sulfonamide
CID 58109927
N-methylcyclohexa-2,4-diene-1-sulfonamide
CID 70317895
N-methyl-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 88599729

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide (CID 144797853) is 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide is CNS(=O)(=O)C1=CC=CC(F)C1.
What is the InChIKey of 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is PROKQVGXRWRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-4,6,9H,5H2,1H3.
What are the key properties of 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide?
5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 191.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 144797853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).