2-(4-methoxyphenyl)ethanesulfonamide

C9H13NO3S — CID 65445634

IUPAC2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyRRJBARRRFGZDIX-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.53
Rot. Bonds4

About 2-(4-methoxyphenyl)ethanesulfonamide

2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 65445634) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID65445634
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyRRJBARRRFGZDIX-UHFFFAOYSA-N
XLogP0.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)ethanesulfonamide (CID 65445634) is 2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is RRJBARRRFGZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12).
What are the key properties of 2-(4-methoxyphenyl)ethanesulfonamide?
2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 65445634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).