2-hydroxy-N,5-dimethylbenzenesulfonamide

C8H11NO3S — CID 70460413

IUPAC2-hydroxy-N,5-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)ccc1O
InChIInChI=1S/C8H11NO3S/c1-6-3-4-7(10)8(5-6)13(11,12)9-2/h3-5,9-10H,1-2H3
InChIKeyUCLDEBYCDUUZSA-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.61
Rot. Bonds2

About 2-hydroxy-N,5-dimethylbenzenesulfonamide

2-hydroxy-N,5-dimethylbenzenesulfonamide (PubChem CID 70460413) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-hydroxy-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N,5-dimethylbenzenesulfonamide
PubChem CID70460413
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-hydroxy-N,5-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)ccc1O
InChIInChI=1S/C8H11NO3S/c1-6-3-4-7(10)8(5-6)13(11,12)9-2/h3-5,9-10H,1-2H3
InChIKeyUCLDEBYCDUUZSA-UHFFFAOYSA-N
XLogP0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-hydroxy-N,5-dimethylbenzenesulfonamide (CID 70460413) is 2-hydroxy-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-hydroxy-N,5-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-N,5-dimethylbenzenesulfonamide?
The InChIKey is UCLDEBYCDUUZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-3-4-7(10)8(5-6)13(11,12)9-2/h3-5,9-10H,1-2H3.
What are the key properties of 2-hydroxy-N,5-dimethylbenzenesulfonamide?
2-hydroxy-N,5-dimethylbenzenesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 70460413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).