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

C9H13NO3S — CID 14368460

IUPACN-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide
SMILESCc1cccc(NS(C)(=O)=O)c1CO
InChIInChI=1S/C9H13NO3S/c1-7-4-3-5-9(8(7)6-11)10-14(2,12)13/h3-5,10-11H,6H2,1-2H3
InChIKeyLWNBWMWPRMQAPG-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.86
Rot. Bonds3

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

N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide (PubChem CID 14368460) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide
PubChem CID14368460
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide
SMILESCc1cccc(NS(C)(=O)=O)c1CO
InChIInChI=1S/C9H13NO3S/c1-7-4-3-5-9(8(7)6-11)10-14(2,12)13/h3-5,10-11H,6H2,1-2H3
InChIKeyLWNBWMWPRMQAPG-UHFFFAOYSA-N
XLogP0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.86
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]methanesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide (CID 14368460) is N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide is Cc1cccc(NS(C)(=O)=O)c1CO.
What is the InChIKey of N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide?
The InChIKey is LWNBWMWPRMQAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-4-3-5-9(8(7)6-11)10-14(2,12)13/h3-5,10-11H,6H2,1-2H3.
What are the key properties of N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide?
N-[2-(hydroxymethyl)-3-methylphenyl]methanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.86, 3 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]methanesulfonamide is sourced from PubChem (CID 14368460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).