4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide

C14H13BrFN3O6S2 — CID 69489340

IUPAC4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide
SMILESCS(=O)(=O)c1c(Nc2ccc(Br)cc2F)c(C(N)=O)cn(S(C)(=O)=O)c1=O
InChIInChI=1S/C14H13BrFN3O6S2/c1-26(22,23)12-11(18-10-4-3-7(15)5-9(10)16)8(13(17)20)6-19(14(12)21)27(2,24)25/h3-6,18H,1-2H3,(H2,17,20)
InChIKeySNVIBXKDHGQKKB-UHFFFAOYSA-N
MW482.31 g/mol
LogP0.80
Rot. Bonds5

About 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide

4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide (PubChem CID 69489340) has the molecular formula C14H13BrFN3O6S2 and a molecular weight of 482.31 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide
PubChem CID69489340
Molecular FormulaC14H13BrFN3O6S2
Molecular Weight482.31 g/mol
Exact Mass480.94
IUPAC Name4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide
SMILESCS(=O)(=O)c1c(Nc2ccc(Br)cc2F)c(C(N)=O)cn(S(C)(=O)=O)c1=O
InChIInChI=1S/C14H13BrFN3O6S2/c1-26(22,23)12-11(18-10-4-3-7(15)5-9(10)16)8(13(17)20)6-19(14(12)21)27(2,24)25/h3-6,18H,1-2H3,(H2,17,20)
InChIKeySNVIBXKDHGQKKB-UHFFFAOYSA-N
XLogP0.80
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide
CID 69488552
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 2990334
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
cyclopropylmethyl 4-(4-bromo-2-fluoroanilino)-1-carbamoyl-5-[fluoro(methylsulfonyl)methyl]-6-oxopyridine-3-carboxylate
CID 69487927
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide
CID 143922211
[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]-dioxidoazanium
CID 163661650
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one
CID 58259896
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide (CID 69489340) is 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide is CS(=O)(=O)c1c(Nc2ccc(Br)cc2F)c(C(N)=O)cn(S(C)(=O)=O)c1=O.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide?
The InChIKey is SNVIBXKDHGQKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O6S2/c1-26(22,23)12-11(18-10-4-3-7(15)5-9(10)16)8(13(17)20)6-19(14(12)21)27(2,24)25/h3-6,18H,1-2H3,(H2,17,20).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide has a molecular weight of 482.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 69489340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).