1,6-difluorocyclohexa-2,4-diene-1-sulfonamide

C6H7F2NO2S — CID 139900662

IUPAC1,6-difluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(F)C=CC=CC1F
InChIInChI=1S/C6H7F2NO2S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5H,(H2,9,10,11)
InChIKeyHKMJIZMEEMJLDL-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.40
Rot. Bonds1

About 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide

1,6-difluorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 139900662) has the molecular formula C6H7F2NO2S and a molecular weight of 195.19 g/mol. Its IUPAC name is 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1,6-difluorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID139900662
Molecular FormulaC6H7F2NO2S
Molecular Weight195.19 g/mol
Exact Mass195.02
IUPAC Name1,6-difluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(F)C=CC=CC1F
InChIInChI=1S/C6H7F2NO2S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5H,(H2,9,10,11)
InChIKeyHKMJIZMEEMJLDL-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide (CID 139900662) is 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1(F)C=CC=CC1F.
What is the InChIKey of 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is HKMJIZMEEMJLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5H,(H2,9,10,11).
What are the key properties of 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide?
1,6-difluorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 195.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 139900662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).