3-hydroxy-N-methylbenzenesulfonamide

C7H9NO3S — CID 20621554

IUPAC3-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C7H9NO3S/c1-8-12(10,11)7-4-2-3-6(9)5-7/h2-5,8-9H,1H3
InChIKeyKPPZBUMGQMDQAX-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.30
Rot. Bonds2

About 3-hydroxy-N-methylbenzenesulfonamide

3-hydroxy-N-methylbenzenesulfonamide (PubChem CID 20621554) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methylbenzenesulfonamide
PubChem CID20621554
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name3-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C7H9NO3S/c1-8-12(10,11)7-4-2-3-6(9)5-7/h2-5,8-9H,1H3
InChIKeyKPPZBUMGQMDQAX-UHFFFAOYSA-N
XLogP0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)sulfonylacetamide
CID 59267686
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide
CID 103463059
3-propan-2-ylsulfonylphenol
CID 23588863
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 134204060
3-hydroxy-N-piperidin-1-ylbenzenesulfonamide
CID 83019095
3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589119

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-hydroxy-N-methylbenzenesulfonamide (CID 20621554) is 3-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is KPPZBUMGQMDQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-8-12(10,11)7-4-2-3-6(9)5-7/h2-5,8-9H,1H3.
What are the key properties of 3-hydroxy-N-methylbenzenesulfonamide?
3-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 20621554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).