4-hydroxy-2-methylbenzenesulfonamide

C7H9NO3S — CID 45080608

IUPAC4-hydroxy-2-methylbenzenesulfonamide
SMILESCc1cc(O)ccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO3S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4,9H,1H3,(H2,8,10,11)
InChIKeyZQKITWMQXQPWGN-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.35
Rot. Bonds1

About 4-hydroxy-2-methylbenzenesulfonamide

4-hydroxy-2-methylbenzenesulfonamide (PubChem CID 45080608) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-hydroxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-2-methylbenzenesulfonamide
PubChem CID45080608
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name4-hydroxy-2-methylbenzenesulfonamide
SMILESCc1cc(O)ccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO3S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4,9H,1H3,(H2,8,10,11)
InChIKeyZQKITWMQXQPWGN-UHFFFAOYSA-N
XLogP0.35
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylbenzenesulfonamide?
The IUPAC name of 4-hydroxy-2-methylbenzenesulfonamide (CID 45080608) is 4-hydroxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-2-methylbenzenesulfonamide?
The canonical SMILES for 4-hydroxy-2-methylbenzenesulfonamide is Cc1cc(O)ccc1S(N)(=O)=O.
What is the InChIKey of 4-hydroxy-2-methylbenzenesulfonamide?
The InChIKey is ZQKITWMQXQPWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4,9H,1H3,(H2,8,10,11).
What are the key properties of 4-hydroxy-2-methylbenzenesulfonamide?
4-hydroxy-2-methylbenzenesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 45080608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).