6-chloro-2-hydroxy-3-methylbenzenesulfonamide

C7H8ClNO3S — CID 70861359

IUPAC6-chloro-2-hydroxy-3-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(N)(=O)=O)c1O
InChIInChI=1S/C7H8ClNO3S/c1-4-2-3-5(8)7(6(4)10)13(9,11)12/h2-3,10H,1H3,(H2,9,11,12)
InChIKeyOQSDTIIJDWNBHT-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.00
Rot. Bonds1

About 6-chloro-2-hydroxy-3-methylbenzenesulfonamide

6-chloro-2-hydroxy-3-methylbenzenesulfonamide (PubChem CID 70861359) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is 6-chloro-2-hydroxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name6-chloro-2-hydroxy-3-methylbenzenesulfonamide
PubChem CID70861359
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name6-chloro-2-hydroxy-3-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(N)(=O)=O)c1O
InChIInChI=1S/C7H8ClNO3S/c1-4-2-3-5(8)7(6(4)10)13(9,11)12/h2-3,10H,1H3,(H2,9,11,12)
InChIKeyOQSDTIIJDWNBHT-UHFFFAOYSA-N
XLogP1.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hydroxy-3-methylbenzenesulfonamide?
The IUPAC name of 6-chloro-2-hydroxy-3-methylbenzenesulfonamide (CID 70861359) is 6-chloro-2-hydroxy-3-methylbenzenesulfonamide.
What is the SMILES notation for 6-chloro-2-hydroxy-3-methylbenzenesulfonamide?
The canonical SMILES for 6-chloro-2-hydroxy-3-methylbenzenesulfonamide is Cc1ccc(Cl)c(S(N)(=O)=O)c1O.
What is the InChIKey of 6-chloro-2-hydroxy-3-methylbenzenesulfonamide?
The InChIKey is OQSDTIIJDWNBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c1-4-2-3-5(8)7(6(4)10)13(9,11)12/h2-3,10H,1H3,(H2,9,11,12).
What are the key properties of 6-chloro-2-hydroxy-3-methylbenzenesulfonamide?
6-chloro-2-hydroxy-3-methylbenzenesulfonamide has a molecular weight of 221.66 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hydroxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 70861359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).