3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol

C10H13BrO3S — CID 116853238

IUPAC3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol
SMILESCc1ccc(Br)cc1S(=O)(=O)CCCO
InChIInChI=1S/C10H13BrO3S/c1-8-3-4-9(11)7-10(8)15(13,14)6-2-5-12/h3-4,7,12H,2,5-6H2,1H3
InChIKeyBHRFRHDEDNUDPQ-UHFFFAOYSA-N
MW293.18 g/mol
LogP1.91
Rot. Bonds4

About 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol

3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol (PubChem CID 116853238) has the molecular formula C10H13BrO3S and a molecular weight of 293.18 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol
PubChem CID116853238
Molecular FormulaC10H13BrO3S
Molecular Weight293.18 g/mol
Exact Mass291.98
IUPAC Name3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol
SMILESCc1ccc(Br)cc1S(=O)(=O)CCCO
InChIInChI=1S/C10H13BrO3S/c1-8-3-4-9(11)7-10(8)15(13,14)6-2-5-12/h3-4,7,12H,2,5-6H2,1H3
InChIKeyBHRFRHDEDNUDPQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4,5-trimethylphenyl)sulfonylpropan-1-ol
CID 116853215
5-(2,5-dimethylphenyl)sulfonylpentan-1-ol
CID 111104889
5-bromo-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 61042574
2-(5-bromo-2-methylphenyl)sulfonylacetonitrile
CID 116853748
2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842
3-[1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469187
5-(6-hydroxyhexylsulfonyl)-2,4-dimethylbenzoic acid
CID 107704289
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
3-(2-hydroxyethylsulfonyl)-4-methylbenzonitrile
CID 138630803
6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol
CID 107707400
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
CID 79386697

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol?
The IUPAC name of 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol (CID 116853238) is 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol is Cc1ccc(Br)cc1S(=O)(=O)CCCO.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol?
The InChIKey is BHRFRHDEDNUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3S/c1-8-3-4-9(11)7-10(8)15(13,14)6-2-5-12/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol?
3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol has a molecular weight of 293.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol is sourced from PubChem (CID 116853238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).