N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide

C10H15NO3S — CID 57016645

IUPACN-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C)c1CO
InChIInChI=1S/C10H15NO3S/c1-3-15(13,14)11-10-6-4-5-8(2)9(10)7-12/h4-6,11-12H,3,7H2,1-2H3
InChIKeyOISIOTVAWBNANZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide

N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide (PubChem CID 57016645) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide
PubChem CID57016645
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C)c1CO
InChIInChI=1S/C10H15NO3S/c1-3-15(13,14)11-10-6-4-5-8(2)9(10)7-12/h4-6,11-12H,3,7H2,1-2H3
InChIKeyOISIOTVAWBNANZ-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide (CID 57016645) is N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C)c1CO.
What is the InChIKey of N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide?
The InChIKey is OISIOTVAWBNANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-15(13,14)11-10-6-4-5-8(2)9(10)7-12/h4-6,11-12H,3,7H2,1-2H3.
What are the key properties of N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide?
N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-methylphenyl]ethanesulfonamide is sourced from PubChem (CID 57016645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).