4-chlorocyclohexa-1,3-diene-1-sulfonamide

C6H8ClNO2S — CID 91097982

IUPAC4-chlorocyclohexa-1,3-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CC=C(Cl)CC1
InChIInChI=1S/C6H8ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1,3H,2,4H2,(H2,8,9,10)
InChIKeyWFIHVWFLUZCBTF-UHFFFAOYSA-N
MW193.66 g/mol
LogP1.08
Rot. Bonds1

About 4-chlorocyclohexa-1,3-diene-1-sulfonamide

4-chlorocyclohexa-1,3-diene-1-sulfonamide (PubChem CID 91097982) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is 4-chlorocyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name4-chlorocyclohexa-1,3-diene-1-sulfonamide
PubChem CID91097982
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name4-chlorocyclohexa-1,3-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CC=C(Cl)CC1
InChIInChI=1S/C6H8ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1,3H,2,4H2,(H2,8,9,10)
InChIKeyWFIHVWFLUZCBTF-UHFFFAOYSA-N
XLogP1.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chlorocyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 4-chlorocyclohexa-1,3-diene-1-sulfonamide (CID 91097982) is 4-chlorocyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 4-chlorocyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 4-chlorocyclohexa-1,3-diene-1-sulfonamide is NS(=O)(=O)C1=CC=C(Cl)CC1.
What is the InChIKey of 4-chlorocyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is WFIHVWFLUZCBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1,3H,2,4H2,(H2,8,9,10).
What are the key properties of 4-chlorocyclohexa-1,3-diene-1-sulfonamide?
4-chlorocyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 193.66 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorocyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 91097982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).