2-(4-methylphenyl)ethanesulfonamide

C9H13NO2S — CID 23439154

IUPAC2-(4-methylphenyl)ethanesulfonamide
SMILESCc1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyGIAHBOGFOFDTAM-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-methylphenyl)ethanesulfonamide

2-(4-methylphenyl)ethanesulfonamide (PubChem CID 23439154) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methylphenyl)ethanesulfonamide
PubChem CID23439154
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(4-methylphenyl)ethanesulfonamide
SMILESCc1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyGIAHBOGFOFDTAM-UHFFFAOYSA-N
XLogP0.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-(4-methylphenyl)ethanesulfonamide (CID 23439154) is 2-(4-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methylphenyl)ethanesulfonamide is Cc1ccc(CCS(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethanesulfonamide?
The InChIKey is GIAHBOGFOFDTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12).
What are the key properties of 2-(4-methylphenyl)ethanesulfonamide?
2-(4-methylphenyl)ethanesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 23439154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).