N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide

C9H15NO2S — CID 143184066

IUPACN-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1C=CC(C)=CC1
InChIInChI=1S/C9H15NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h4-6,9-10H,3,7H2,1-2H3
InChIKeyLVZJFYNXIQUBNP-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.20
Rot. Bonds3

About N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide

N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide (PubChem CID 143184066) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide
PubChem CID143184066
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1C=CC(C)=CC1
InChIInChI=1S/C9H15NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h4-6,9-10H,3,7H2,1-2H3
InChIKeyLVZJFYNXIQUBNP-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide?
The IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide (CID 143184066) is N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide?
The canonical SMILES for N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide is CCS(=O)(=O)NC1C=CC(C)=CC1.
What is the InChIKey of N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide?
The InChIKey is LVZJFYNXIQUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h4-6,9-10H,3,7H2,1-2H3.
What are the key properties of N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide?
N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-2,4-dien-1-yl)ethanesulfonamide is sourced from PubChem (CID 143184066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).