sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide

C15H12BrN2NaO3S — CID 23703219

IUPACsodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide
SMILESCc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccn2)c(Br)c1.[Na+]
InChIInChI=1S/C15H13BrN2O3S.Na/c1-11-5-6-13(14(16)10-11)15(19)18-22(20,21)9-7-12-4-2-3-8-17-12;/h2-10H,1H3,(H,18,19);/q;+1/p-1/b9-7+;
InChIKeyBRVZYPBBZRWZBI-BXTVWIJMSA-M
MW403.23 g/mol
LogP0.67
Rot. Bonds4

About sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide

sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide (PubChem CID 23703219) has the molecular formula C15H12BrN2NaO3S and a molecular weight of 403.23 g/mol. Its IUPAC name is sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide.

Molecular Properties

Compound Namesodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide
PubChem CID23703219
Molecular FormulaC15H12BrN2NaO3S
Molecular Weight403.23 g/mol
Exact Mass401.96
IUPAC Namesodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide
SMILESCc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccn2)c(Br)c1.[Na+]
InChIInChI=1S/C15H13BrN2O3S.Na/c1-11-5-6-13(14(16)10-11)15(19)18-22(20,21)9-7-12-4-2-3-8-17-12;/h2-10H,1H3,(H,18,19);/q;+1/p-1/b9-7+;
InChIKeyBRVZYPBBZRWZBI-BXTVWIJMSA-M
XLogP0.67
TPSA78.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

EBV lytic cycle inducer-1
CID 5341487
(E)-1-(3-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
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3-bromo-4-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide
CID 164611866
2-bromo-N-[[1-ethylsulfonyl-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-4-fluorobenzamide
CID 11706042
2-bromo-4-fluoro-N-[(E)-2-pyridin-2-ylethenyl]sulfonylbenzamide
CID 16036466
2-bromo-4-fluoro-N-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]sulfonylbenzamide
CID 16036574
2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide
CID 25001679
2-bromo-4-fluoro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
CID 68976444
2-bromo-4-fluoro-N-[2-(6-methyl-2-pyridinyl)ethenylsulfonyl]benzamide
CID 68978326
4-(5-bromo-6-fluoropyridin-3-yl)-2,5-difluoro-N-(methylsulfonyl)benzamide
CID 117994007
3-(5-Bromo-2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 176314877
3-Bromobenzoic acid 2-[1-(2-pyridinyl)ethylidene]hydrazide
CID 872813

Frequently Asked Questions

What is the IUPAC name of sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide?
The IUPAC name of sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide (CID 23703219) is sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide.
What is the SMILES notation for sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide?
The canonical SMILES for sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide is Cc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccn2)c(Br)c1.[Na+].
What is the InChIKey of sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide?
The InChIKey is BRVZYPBBZRWZBI-BXTVWIJMSA-M. The full InChI is InChI=1S/C15H13BrN2O3S.Na/c1-11-5-6-13(14(16)10-11)15(19)18-22(20,21)9-7-12-4-2-3-8-17-12;/h2-10H,1H3,(H,18,19);/q;+1/p-1/b9-7+;.
What are the key properties of sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide?
sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide has a molecular weight of 403.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-bromo-4-methylbenzoyl)-[(E)-2-pyridin-2-ylethenyl]sulfonylazanide is sourced from PubChem (CID 23703219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).