(E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride

C9H8BrFO2S — CID 155525093

IUPAC(E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride
SMILESCc1cc(/C=C/S(=O)(=O)F)ccc1Br
InChIInChI=1S/C9H8BrFO2S/c1-7-6-8(2-3-9(7)10)4-5-14(11,12)13/h2-6H,1H3/b5-4+
InChIKeyDNABEKLAJRIMRH-SNAWJCMRSA-N
MW279.13 g/mol
LogP3.03
Rot. Bonds2

About (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride

(E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride (PubChem CID 155525093) has the molecular formula C9H8BrFO2S and a molecular weight of 279.13 g/mol. Its IUPAC name is (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride
PubChem CID155525093
Molecular FormulaC9H8BrFO2S
Molecular Weight279.13 g/mol
Exact Mass277.94
IUPAC Name(E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride
SMILESCc1cc(/C=C/S(=O)(=O)F)ccc1Br
InChIInChI=1S/C9H8BrFO2S/c1-7-6-8(2-3-9(7)10)4-5-14(11,12)13/h2-6H,1H3/b5-4+
InChIKeyDNABEKLAJRIMRH-SNAWJCMRSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride (CID 155525093) is (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride is Cc1cc(/C=C/S(=O)(=O)F)ccc1Br.
What is the InChIKey of (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride?
The InChIKey is DNABEKLAJRIMRH-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H8BrFO2S/c1-7-6-8(2-3-9(7)10)4-5-14(11,12)13/h2-6H,1H3/b5-4+.
What are the key properties of (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride?
(E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride has a molecular weight of 279.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-bromo-3-methylphenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 155525093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).