cyclohexa-2,4-diene-1-sulfonamide

C6H9NO2S — CID 18704428

IUPACcyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1
InChIInChI=1S/C6H9NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,7,8,9)
InChIKeyVMBCRCXDFSRACD-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.16
Rot. Bonds1

About cyclohexa-2,4-diene-1-sulfonamide

cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 18704428) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1-sulfonamide
PubChem CID18704428
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Namecyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1
InChIInChI=1S/C6H9NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,7,8,9)
InChIKeyVMBCRCXDFSRACD-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of cyclohexa-2,4-diene-1-sulfonamide (CID 18704428) is cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for cyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is VMBCRCXDFSRACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,7,8,9).
What are the key properties of cyclohexa-2,4-diene-1-sulfonamide?
cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 159.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 18704428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).