1,5-difluorocyclohexa-2,4-diene-1-sulfonamide

C6H7F2NO2S — CID 139900659

IUPAC1,5-difluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(F)C=CC=C(F)C1
InChIInChI=1S/C6H7F2NO2S/c7-5-2-1-3-6(8,4-5)12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyFWITXBMGWWBUBV-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.75
Rot. Bonds1

About 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide

1,5-difluorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 139900659) has the molecular formula C6H7F2NO2S and a molecular weight of 195.19 g/mol. Its IUPAC name is 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1,5-difluorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID139900659
Molecular FormulaC6H7F2NO2S
Molecular Weight195.19 g/mol
Exact Mass195.02
IUPAC Name1,5-difluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(F)C=CC=C(F)C1
InChIInChI=1S/C6H7F2NO2S/c7-5-2-1-3-6(8,4-5)12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyFWITXBMGWWBUBV-UHFFFAOYSA-N
XLogP0.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 86631934
1-chloro-5-fluorocyclohexa-2,4-diene-1-carboxylic acid
CID 141483693
(1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane
CID 177045617
bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,4,6-trifluoro-3-methylphenyl)borane
CID 177045543
azanium 1,5-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 141478891
1,5-dibromo-5-iodocyclohexa-1,3-diene
CID 152608988
5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene
CID 69312973
1,3-dihydroindol-2-one;sulfamide
CID 160648154
1,3,5-trimethylcyclohexa-2,4-diene-1-sulfonamide
CID 141048188
1,4-difluorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 139643842
5-cyano-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 151419917
2,4-dichloro-1-[(1R)-5-fluoro-1-(2-fluorophenyl)cyclohexa-2,4-dien-1-yl]benzene
CID 141158763

Frequently Asked Questions

What is the IUPAC name of 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide (CID 139900659) is 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1(F)C=CC=C(F)C1.
What is the InChIKey of 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is FWITXBMGWWBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2S/c7-5-2-1-3-6(8,4-5)12(9,10)11/h1-3H,4H2,(H2,9,10,11).
What are the key properties of 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide?
1,5-difluorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 195.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 139900659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).