N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide

C13H15NO2S — CID 129312965

IUPACN-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C13H15NO2S/c1-17(15,16)14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h3,5-10,14H,2,4H2,1H3
InChIKeyRRBOUZMYVJGZQD-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.79
Rot. Bonds3

About N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide

N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide (PubChem CID 129312965) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide
PubChem CID129312965
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C13H15NO2S/c1-17(15,16)14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h3,5-10,14H,2,4H2,1H3
InChIKeyRRBOUZMYVJGZQD-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide (CID 129312965) is N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide?
The InChIKey is RRBOUZMYVJGZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-17(15,16)14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h3,5-10,14H,2,4H2,1H3.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide?
N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide has a molecular weight of 249.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 129312965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).