2-(1-hydroxypropan-2-yl)benzenesulfonamide

C9H13NO3S — CID 167679845

IUPAC2-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-7(6-11)8-4-2-3-5-9(8)14(10,12)13/h2-5,7,11H,6H2,1H3,(H2,10,12,13)
InChIKeyVJBWENWQEDKVMV-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.43
Rot. Bonds3

About 2-(1-hydroxypropan-2-yl)benzenesulfonamide

2-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 167679845) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID167679845
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-7(6-11)8-4-2-3-5-9(8)14(10,12)13/h2-5,7,11H,6H2,1H3,(H2,10,12,13)
InChIKeyVJBWENWQEDKVMV-UHFFFAOYSA-N
XLogP0.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxopentan-2-yl)benzenesulfonamide
CID 63549984
2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide
CID 140551026
2-[(2S,3R)-1-hydroxy-3-methylnonan-2-yl]benzenesulfonamide
CID 140551000
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2-(3-chloropentan-2-yl)benzenesulfonamide
CID 63562150
2-(dichloromethyl)benzenesulfonamide
CID 13364615
2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
CID 117362805
2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide
CID 55161343
2-sulfanylbenzenesulfonamide
CID 11041532
2-(1-nitroprop-2-ynyl)benzenesulfonamide
CID 170601626
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
2-[(3S,4S)-5-hydroxy-3,7-dimethyloct-6-en-4-yl]benzenesulfonamide
CID 140550981

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 167679845) is 2-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is VJBWENWQEDKVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7(6-11)8-4-2-3-5-9(8)14(10,12)13/h2-5,7,11H,6H2,1H3,(H2,10,12,13).
What are the key properties of 2-(1-hydroxypropan-2-yl)benzenesulfonamide?
2-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 167679845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).