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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Related Compounds

p-t-Butylbenzenesulfonamide potassium
CID 66748434
[amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea
CID 146610620
4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
CID 20658583
2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
CID 55068310
4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide
CID 146515046
methane;4-methylbenzenesulfonamide
CID 66673954
bis(4-methylbenzenesulfonamide);selane
CID 173300479
benzenesulfonamide;methanol
CID 23223292
4-(2-amino-2-methylpropyl)benzenesulfonamide
CID 130155148
[4-(2-hydroxypropan-2-yl)phenyl] methanesulfonate
CID 117332636
4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
CID 63201446

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).