5-acetyl-2-hydroxy-N-methylbenzenesulfonamide

C9H11NO4S — CID 154481040

IUPAC5-acetyl-2-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(C)=O)ccc1O
InChIInChI=1S/C9H11NO4S/c1-6(11)7-3-4-8(12)9(5-7)15(13,14)10-2/h3-5,10,12H,1-2H3
InChIKeySVROWNDKSIGIEO-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.50
Rot. Bonds3

About 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide

5-acetyl-2-hydroxy-N-methylbenzenesulfonamide (PubChem CID 154481040) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-2-hydroxy-N-methylbenzenesulfonamide
PubChem CID154481040
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name5-acetyl-2-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(C)=O)ccc1O
InChIInChI=1S/C9H11NO4S/c1-6(11)7-3-4-8(12)9(5-7)15(13,14)10-2/h3-5,10,12H,1-2H3
InChIKeySVROWNDKSIGIEO-UHFFFAOYSA-N
XLogP0.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-bromo-N-methylbenzenesulfonamide
CID 157311179
2-hydroxy-N,5-dimethylbenzenesulfonamide
CID 70460413
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-bromo-2-hydroxy-N-methylbenzenesulfonamide
CID 169108659
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
4-ethyl-3-(methylsulfamoyl)benzoic acid
CID 43311481
(5-acetyl-2-hydroxyphenyl)astatine
CID 177043145
N,2-dimethyl-5-propanoylbenzenesulfonamide
CID 82044488
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide (CID 154481040) is 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(C)=O)ccc1O.
What is the InChIKey of 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is SVROWNDKSIGIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-6(11)7-3-4-8(12)9(5-7)15(13,14)10-2/h3-5,10,12H,1-2H3.
What are the key properties of 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide?
5-acetyl-2-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 229.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 154481040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).