N-(3-methylphenyl)ethenesulfonamide

C9H11NO2S — CID 58724758

IUPACN-(3-methylphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C9H11NO2S/c1-3-13(11,12)10-9-6-4-5-8(2)7-9/h3-7,10H,1H2,2H3
InChIKeyOPYGIYMTGCVEJF-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.88
Rot. Bonds3

About N-(3-methylphenyl)ethenesulfonamide

N-(3-methylphenyl)ethenesulfonamide (PubChem CID 58724758) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(3-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)ethenesulfonamide
PubChem CID58724758
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(3-methylphenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C9H11NO2S/c1-3-13(11,12)10-9-6-4-5-8(2)7-9/h3-7,10H,1H2,2H3
InChIKeyOPYGIYMTGCVEJF-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)ethenesulfonamide?
The IUPAC name of N-(3-methylphenyl)ethenesulfonamide (CID 58724758) is N-(3-methylphenyl)ethenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)ethenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)ethenesulfonamide is C=CS(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)ethenesulfonamide?
The InChIKey is OPYGIYMTGCVEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-3-13(11,12)10-9-6-4-5-8(2)7-9/h3-7,10H,1H2,2H3.
What are the key properties of N-(3-methylphenyl)ethenesulfonamide?
N-(3-methylphenyl)ethenesulfonamide has a molecular weight of 197.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 58724758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).