4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H15NO3S — CID 11064226

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-10(2,7-12)8-3-5-9(6-4-8)15(11,13)14/h3-6,12H,7H2,1-2H3,(H2,11,13,14)
InChIKeySOOTXJBKDRWYBZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.60
Rot. Bonds3

About 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 11064226) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID11064226
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-10(2,7-12)8-3-5-9(6-4-8)15(11,13)14/h3-6,12H,7H2,1-2H3,(H2,11,13,14)
InChIKeySOOTXJBKDRWYBZ-UHFFFAOYSA-N
XLogP0.60
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)benzenesulfonamide
CID 10081162
4-(2-Hydroxyethyl)benzenesulfonamide
CID 10375558
4-(4-Oxidanylbutyl)benzenesulfonamide
CID 15707361
4-(3-Hydroxypropyl)benzene-1-sulfonamide
CID 15707360
4-(5-Hydroxypentyl)benzene-1-sulfonamide
CID 15707362
3-Fluoro-4-(3-hydroxypropyl)benzenesulfonamide
CID 15707369
2-[4-(Methylsulfonyl)phenyl]-1-ethanol
CID 22988427
4-alpha-Hydroxyethylbenzenesulfonamide
CID 195007
3-(1,1-Difluoro-5-hydroxypentyl)benzenesulfonamide
CID 138974592
Neophyl tosylate
CID 12759821
9-Hydroxynonyl 4-methylbenzenesulfonate
CID 138985917
2-[4-(4-Fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
CID 19005250

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 11064226) is 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is SOOTXJBKDRWYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(2,7-12)8-3-5-9(6-4-8)15(11,13)14/h3-6,12H,7H2,1-2H3,(H2,11,13,14).
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 11064226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).