6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide

C9H12ClNO3S — CID 20795843

IUPAC6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(N)(=O)=O)c1O
InChIInChI=1S/C9H12ClNO3S/c1-5(2)6-3-4-7(10)9(8(6)12)15(11,13)14/h3-5,12H,1-2H3,(H2,11,13,14)
InChIKeyWBOBPYKEVIEWQT-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.82
Rot. Bonds2

About 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide

6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide (PubChem CID 20795843) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide
PubChem CID20795843
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(N)(=O)=O)c1O
InChIInChI=1S/C9H12ClNO3S/c1-5(2)6-3-4-7(10)9(8(6)12)15(11,13)14/h3-5,12H,1-2H3,(H2,11,13,14)
InChIKeyWBOBPYKEVIEWQT-UHFFFAOYSA-N
XLogP1.82
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.82
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-propan-2-ylbenzenesulfonamide?
The IUPAC name of 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide (CID 20795843) is 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(Cl)c(S(N)(=O)=O)c1O.
What is the InChIKey of 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide?
The InChIKey is WBOBPYKEVIEWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-5(2)6-3-4-7(10)9(8(6)12)15(11,13)14/h3-5,12H,1-2H3,(H2,11,13,14).
What are the key properties of 6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide?
6-chloro-2-hydroxy-3-propan-2-ylbenzenesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.82, 2 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 20795843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).