N-[2-(hydroxymethyl)phenyl]ethanesulfonamide

C9H13NO3S — CID 60650349

IUPACN-[2-(hydroxymethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C9H13NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h3-6,10-11H,2,7H2,1H3
InChIKeyOIJQGDCUYPOGNW-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(hydroxymethyl)phenyl]ethanesulfonamide

N-[2-(hydroxymethyl)phenyl]ethanesulfonamide (PubChem CID 60650349) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]ethanesulfonamide
PubChem CID60650349
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-[2-(hydroxymethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C9H13NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h3-6,10-11H,2,7H2,1H3
InChIKeyOIJQGDCUYPOGNW-UHFFFAOYSA-N
XLogP0.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]ethanesulfonamide (CID 60650349) is N-[2-(hydroxymethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]ethanesulfonamide?
The InChIKey is OIJQGDCUYPOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h3-6,10-11H,2,7H2,1H3.
What are the key properties of N-[2-(hydroxymethyl)phenyl]ethanesulfonamide?
N-[2-(hydroxymethyl)phenyl]ethanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 60650349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).