2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide

C12H13NO2S — CID 67426658

IUPAC2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1C=CC=CC1
InChIInChI=1S/C12H13NO2S/c13-16(14,15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-6,8-10H,7H2,(H2,13,14,15)
InChIKeyQCMGXZZAHWZOCH-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.93
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide

2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide (PubChem CID 67426658) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide
PubChem CID67426658
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1C=CC=CC1
InChIInChI=1S/C12H13NO2S/c13-16(14,15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-6,8-10H,7H2,(H2,13,14,15)
InChIKeyQCMGXZZAHWZOCH-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide (CID 67426658) is 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide is NS(=O)(=O)c1ccccc1C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide?
The InChIKey is QCMGXZZAHWZOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c13-16(14,15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-6,8-10H,7H2,(H2,13,14,15).
What are the key properties of 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide?
2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide has a molecular weight of 235.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-ylbenzenesulfonamide is sourced from PubChem (CID 67426658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).