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

C6H8FNO2S — CID 89266077

IUPAC5-fluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=C(F)C1
InChIInChI=1S/C6H8FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-3,6H,4H2,(H2,8,9,10)
InChIKeyXTRBKUFADMMCMJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.46
Rot. Bonds1

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

5-fluorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 89266077) has the molecular formula C6H8FNO2S and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-fluorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name5-fluorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID89266077
Molecular FormulaC6H8FNO2S
Molecular Weight177.20 g/mol
Exact Mass177.03
IUPAC Name5-fluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=C(F)C1
InChIInChI=1S/C6H8FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-3,6H,4H2,(H2,8,9,10)
InChIKeyXTRBKUFADMMCMJ-UHFFFAOYSA-N
XLogP0.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohex-3-ene-1-sulfonamide
CID 71757353
1-Fluorocyclohexa-2,4-diene-1-sulfonamide
CID 67459447
6-Fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide
CID 69295249
4-Fluorocyclohexa-2,4-diene-1-sulfinate
CID 70301961
5-Fluorocyclohexa-1,5-diene-1-sulfonamide
CID 89382549
6-Chloro-6-fluorocyclohexa-2,4-diene-1-sulfonamide
CID 90357948
6-Fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 121293272
4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide
CID 126536409
1,5-Difluorocyclohexa-2,4-diene-1-sulfonamide
CID 139900659
1,6-Difluorocyclohexa-2,4-diene-1-sulfonamide
CID 139900662
6-Fluorocyclohexa-2,4-diene-1-sulfinate
CID 163732754
(E)-3,3-difluorohex-4-ene-1-sulfonamide
CID 170409708

Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 5-fluorocyclohexa-2,4-diene-1-sulfonamide (CID 89266077) is 5-fluorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 5-fluorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 5-fluorocyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1C=CC=C(F)C1.
What is the InChIKey of 5-fluorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is XTRBKUFADMMCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-3,6H,4H2,(H2,8,9,10).
What are the key properties of 5-fluorocyclohexa-2,4-diene-1-sulfonamide?
5-fluorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 177.20 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 89266077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).