2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide

C9H13NO3S — CID 14006032

IUPAC2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C9H13NO3S/c1-10(2)14(12,13)9-6-4-3-5-8(9)7-11/h3-6,11H,7H2,1-2H3
InChIKeyKBDKCOUCORRGTM-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.43
Rot. Bonds3

About 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide

2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 14006032) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
PubChem CID14006032
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C9H13NO3S/c1-10(2)14(12,13)9-6-4-3-5-8(9)7-11/h3-6,11H,7H2,1-2H3
InChIKeyKBDKCOUCORRGTM-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide (CID 14006032) is 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is KBDKCOUCORRGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-10(2)14(12,13)9-6-4-3-5-8(9)7-11/h3-6,11H,7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 14006032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).