N-[2-(hydroxymethyl)phenyl]methanesulfonamide

C8H11NO3S — CID 22955815

IUPACN-[2-(hydroxymethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C8H11NO3S/c1-13(11,12)9-8-5-3-2-4-7(8)6-10/h2-5,9-10H,6H2,1H3
InChIKeyIOXWRKGTSWFDAU-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.55
Rot. Bonds3

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

N-[2-(hydroxymethyl)phenyl]methanesulfonamide (PubChem CID 22955815) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]methanesulfonamide
PubChem CID22955815
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC NameN-[2-(hydroxymethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C8H11NO3S/c1-13(11,12)9-8-5-3-2-4-7(8)6-10/h2-5,9-10H,6H2,1H3
InChIKeyIOXWRKGTSWFDAU-UHFFFAOYSA-N
XLogP0.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminobenzyl alcohol
CID 21439
NS-49
CID 9838763
2-Aminobenzhydrol
CID 270810
2-Amino-alpha-methylbenzenemethanol
CID 112058
2-Amino-5-methylbenzyl alcohol
CID 576450
(3-Amino-2-methylphenyl)methanol
CID 577175
2-Amino-3-methylbenzyl alcohol
CID 577176
(3-Amino-4-methylphenyl)methanol
CID 586243
(4-Amino-3-methylphenyl)methanol
CID 1514189
N-(2-(Hydroxymethyl)phenyl)-4-methylbenzenesulfonamide
CID 4549294
(2-Amino-4-fluorophenyl)methanol
CID 12737325
(2-Amino-6-methylphenyl)methanol
CID 15339417

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]methanesulfonamide (CID 22955815) is N-[2-(hydroxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]methanesulfonamide?
The InChIKey is IOXWRKGTSWFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-13(11,12)9-8-5-3-2-4-7(8)6-10/h2-5,9-10H,6H2,1H3.
What are the key properties of N-[2-(hydroxymethyl)phenyl]methanesulfonamide?
N-[2-(hydroxymethyl)phenyl]methanesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 22955815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).