1-(4-bromophenyl)sulfonylbutan-2-ol

C10H13BrO3S — CID 106584994

IUPAC1-(4-bromophenyl)sulfonylbutan-2-ol
SMILESCCC(O)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO3S/c1-2-9(12)7-15(13,14)10-5-3-8(11)4-6-10/h3-6,9,12H,2,7H2,1H3
InChIKeyLXJRWQBZSHNWPJ-UHFFFAOYSA-N
MW293.18 g/mol
LogP1.99
Rot. Bonds4

About 1-(4-bromophenyl)sulfonylbutan-2-ol

1-(4-bromophenyl)sulfonylbutan-2-ol (PubChem CID 106584994) has the molecular formula C10H13BrO3S and a molecular weight of 293.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylbutan-2-ol
PubChem CID106584994
Molecular FormulaC10H13BrO3S
Molecular Weight293.18 g/mol
Exact Mass291.98
IUPAC Name1-(4-bromophenyl)sulfonylbutan-2-ol
SMILESCCC(O)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO3S/c1-2-9(12)7-15(13,14)10-5-3-8(11)4-6-10/h3-6,9,12H,2,7H2,1H3
InChIKeyLXJRWQBZSHNWPJ-UHFFFAOYSA-N
XLogP1.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
CID 6976995
1-bromo-4-(2,2-difluoroethylsulfonyl)benzene
CID 84715319
1-bromo-4-(2-methylpropylsulfonyl)benzene
CID 56776816
1-bromo-4-[2-(bromomethyl)pentylsulfonyl]benzene
CID 65014193
1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 64717111
2-acetamido-3-(4-bromophenyl)sulfonylpropanoic acid
CID 64583509
1-(4-bromophenyl)sulfonyl-N,3,3-trimethylbutan-2-amine
CID 64645057
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
1-(4-methylphenyl)sulfonothioylbutan-2-ol
CID 90470795
1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 46851558
2-(4-bromophenyl)sulfonylacetate
CID 7744989
1-[2-(bromomethyl)butylsulfonyl]-4-fluorobenzene
CID 65000282

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylbutan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfonylbutan-2-ol (CID 106584994) is 1-(4-bromophenyl)sulfonylbutan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylbutan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfonylbutan-2-ol is CCC(O)CS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylbutan-2-ol?
The InChIKey is LXJRWQBZSHNWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3S/c1-2-9(12)7-15(13,14)10-5-3-8(11)4-6-10/h3-6,9,12H,2,7H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonylbutan-2-ol?
1-(4-bromophenyl)sulfonylbutan-2-ol has a molecular weight of 293.18 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylbutan-2-ol is sourced from PubChem (CID 106584994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).