1-(benzenesulfonyl)-3-methoxypropan-2-ol

C10H14O4S — CID 107508907

IUPAC1-(benzenesulfonyl)-3-methoxypropan-2-ol
SMILESCOCC(O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O4S/c1-14-7-9(11)8-15(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyAHZAJALJOVNPJT-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.47
Rot. Bonds5

About 1-(benzenesulfonyl)-3-methoxypropan-2-ol

1-(benzenesulfonyl)-3-methoxypropan-2-ol (PubChem CID 107508907) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-methoxypropan-2-ol
PubChem CID107508907
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name1-(benzenesulfonyl)-3-methoxypropan-2-ol
SMILESCOCC(O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O4S/c1-14-7-9(11)8-15(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyAHZAJALJOVNPJT-UHFFFAOYSA-N
XLogP0.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-methoxypropan-2-amine
CID 107508474
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993090
(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
CID 6976995
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993087
(2S)-1-(benzenesulfonyl)-3-(propylamino)propan-2-ol
CID 155698618
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
CID 14640296

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-3-methoxypropan-2-ol (CID 107508907) is 1-(benzenesulfonyl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-3-methoxypropan-2-ol is COCC(O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-methoxypropan-2-ol?
The InChIKey is AHZAJALJOVNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-14-7-9(11)8-15(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-methoxypropan-2-ol?
1-(benzenesulfonyl)-3-methoxypropan-2-ol has a molecular weight of 230.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-methoxypropan-2-ol is sourced from PubChem (CID 107508907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).