4-(2-hydroxypropan-2-yl)benzenesulfonamide

C9H13NO3S — CID 68722995

IUPAC4-(2-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(C)(O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S/c1-9(2,11)7-3-5-8(6-4-7)14(10,12)13/h3-6,11H,1-2H3,(H2,10,12,13)
InChIKeyWXGQGFWMVYIVDI-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.56
Rot. Bonds2

About 4-(2-hydroxypropan-2-yl)benzenesulfonamide

4-(2-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 68722995) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID68722995
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(2-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(C)(O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S/c1-9(2,11)7-3-5-8(6-4-7)14(10,12)13/h3-6,11H,1-2H3,(H2,10,12,13)
InChIKeyWXGQGFWMVYIVDI-UHFFFAOYSA-N
XLogP0.56
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)benzenesulfonamide (CID 68722995) is 4-(2-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)benzenesulfonamide is CC(C)(O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is WXGQGFWMVYIVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-9(2,11)7-3-5-8(6-4-7)14(10,12)13/h3-6,11H,1-2H3,(H2,10,12,13).
What are the key properties of 4-(2-hydroxypropan-2-yl)benzenesulfonamide?
4-(2-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 68722995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).