3-hydroxy-N,N-dimethylbenzenesulfonamide

C8H11NO3S — CID 21127852

IUPAC3-hydroxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C8H11NO3S/c1-9(2)13(11,12)8-5-3-4-7(10)6-8/h3-6,10H,1-2H3
InChIKeyUYUXDZBGNARSPX-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.64
Rot. Bonds2

About 3-hydroxy-N,N-dimethylbenzenesulfonamide

3-hydroxy-N,N-dimethylbenzenesulfonamide (PubChem CID 21127852) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethylbenzenesulfonamide
PubChem CID21127852
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name3-hydroxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C8H11NO3S/c1-9(2)13(11,12)8-5-3-4-7(10)6-8/h3-6,10H,1-2H3
InChIKeyUYUXDZBGNARSPX-UHFFFAOYSA-N
XLogP0.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-hydroxy-N,N-dimethylbenzenesulfonamide (CID 21127852) is 3-hydroxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-hydroxy-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is UYUXDZBGNARSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-9(2)13(11,12)8-5-3-4-7(10)6-8/h3-6,10H,1-2H3.
What are the key properties of 3-hydroxy-N,N-dimethylbenzenesulfonamide?
3-hydroxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 21127852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).