(E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol

C10H11BrO3S — CID 102324012

IUPAC(E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol
SMILESCC(O)/C(Br)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11BrO3S/c1-8(12)10(11)7-15(13,14)9-5-3-2-4-6-9/h2-8,12H,1H3/b10-7+
InChIKeyMNFWJDJKGISFCE-JXMROGBWSA-N
MW291.17 g/mol
LogP2.08
Rot. Bonds3

About (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol

(E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol (PubChem CID 102324012) has the molecular formula C10H11BrO3S and a molecular weight of 291.17 g/mol. Its IUPAC name is (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol
PubChem CID102324012
Molecular FormulaC10H11BrO3S
Molecular Weight291.17 g/mol
Exact Mass289.96
IUPAC Name(E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol
SMILESCC(O)/C(Br)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11BrO3S/c1-8(12)10(11)7-15(13,14)9-5-3-2-4-6-9/h2-8,12H,1H3/b10-7+
InChIKeyMNFWJDJKGISFCE-JXMROGBWSA-N
XLogP2.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromobenzenesulfonyl)ethan-1-ol
CID 15918507
2-(Phenylsulfonyl)ethanol
CID 30202
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
2-[(2-Bromophenyl)sulfonyl]ethanol
CID 2757163
1-(Benzenesulfonyl)propan-2-ol
CID 547258
1-(Phenylsulfinyl)propan-2-ol
CID 12619450
2-Butanol, 1-bromo-4-(phenylsulfonyl)-
CID 85869382
3-Bromobut-3-en-2-ylsulfonylbenzene
CID 10707516
(2S)-2-(benzenesulfonyl)butan-1-ol
CID 155934407
4-(Benzenesulfonyl)butan-2-ol
CID 10943848
1-Propanol, 3-(phenylsulfonyl)-
CID 11106367
(r)-(-)-4-(Phenylsulfonyl)-2-butanol
CID 11138464

Frequently Asked Questions

What is the IUPAC name of (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol?
The IUPAC name of (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol (CID 102324012) is (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol.
What is the SMILES notation for (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol?
The canonical SMILES for (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol is CC(O)/C(Br)=C\S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol?
The InChIKey is MNFWJDJKGISFCE-JXMROGBWSA-N. The full InChI is InChI=1S/C10H11BrO3S/c1-8(12)10(11)7-15(13,14)9-5-3-2-4-6-9/h2-8,12H,1H3/b10-7+.
What are the key properties of (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol?
(E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol has a molecular weight of 291.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(benzenesulfonyl)-3-bromobut-3-en-2-ol is sourced from PubChem (CID 102324012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).