sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide

C15H9BrClFNNaO3S — CID 23700195

IUPACsodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide
SMILESO=C([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1Br.[Na+]
InChIInChI=1S/C15H10BrClFNO3S.Na/c16-13-9-11(18)5-6-12(13)15(20)19-23(21,22)8-7-10-3-1-2-4-14(10)17;/h1-9H,(H,19,20);/q;+1/p-1/b8-7+;
InChIKeyVSIZAUODOQIYHR-USRGLUTNSA-M
MW440.65 g/mol
LogP1.76
Rot. Bonds4

About sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide

sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide (PubChem CID 23700195) has the molecular formula C15H9BrClFNNaO3S and a molecular weight of 440.65 g/mol. Its IUPAC name is sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide.

Molecular Properties

Compound Namesodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide
PubChem CID23700195
Molecular FormulaC15H9BrClFNNaO3S
Molecular Weight440.65 g/mol
Exact Mass438.91
IUPAC Namesodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide
SMILESO=C([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1Br.[Na+]
InChIInChI=1S/C15H10BrClFNO3S.Na/c16-13-9-11(18)5-6-12(13)15(20)19-23(21,22)8-7-10-3-1-2-4-14(10)17;/h1-9H,(H,19,20);/q;+1/p-1/b8-7+;
InChIKeyVSIZAUODOQIYHR-USRGLUTNSA-M
XLogP1.76
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.65
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluorobenzamide;(E)-2-(2-chlorophenyl)ethenesulfonic acid
CID 87831163
sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide
CID 23703219
2-bromo-4-methylbenzamide;(E)-2-(2-chlorophenyl)ethenesulfonic acid
CID 87833134
2-bromo-4-fluorobenzamide;(E)-2-(2-methoxyphenyl)ethenesulfonic acid
CID 87831780
4-bromo-2-chlorobenzamide;(E)-2-(2-chlorophenyl)ethenesulfonic acid
CID 87701258
2-bromo-4-fluorobenzamide;2-(3-chlorophenyl)ethenesulfonic acid
CID 174564696
3-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43333887
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603191
(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26312772
2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 135362392
1-(2-bromo-4-fluorophenyl)prop-2-yn-1-one
CID 114978563

Frequently Asked Questions

What is the IUPAC name of sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide?
The IUPAC name of sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide (CID 23700195) is sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide.
What is the SMILES notation for sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide?
The canonical SMILES for sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide is O=C([N-]S(=O)(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1Br.[Na+].
What is the InChIKey of sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide?
The InChIKey is VSIZAUODOQIYHR-USRGLUTNSA-M. The full InChI is InChI=1S/C15H10BrClFNO3S.Na/c16-13-9-11(18)5-6-12(13)15(20)19-23(21,22)8-7-10-3-1-2-4-14(10)17;/h1-9H,(H,19,20);/q;+1/p-1/b8-7+;.
What are the key properties of sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide?
sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide has a molecular weight of 440.65 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-bromo-4-fluorobenzoyl)-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylazanide is sourced from PubChem (CID 23700195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).