N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide

C17H15BrFN3O4S — CID 50784522

IUPACN-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)CC(=O)Nc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C17H15BrFN3O4S/c1-21-14-6-4-11(8-15(14)22(2)17(21)24)27(25,26)9-16(23)20-13-5-3-10(18)7-12(13)19/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyURLVBBAPHNAUBU-UHFFFAOYSA-N
MW456.29 g/mol
LogP2.19
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide

N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide (PubChem CID 50784522) has the molecular formula C17H15BrFN3O4S and a molecular weight of 456.29 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
PubChem CID50784522
Molecular FormulaC17H15BrFN3O4S
Molecular Weight456.29 g/mol
Exact Mass455.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)CC(=O)Nc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C17H15BrFN3O4S/c1-21-14-6-4-11(8-15(14)22(2)17(21)24)27(25,26)9-16(23)20-13-5-3-10(18)7-12(13)19/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyURLVBBAPHNAUBU-UHFFFAOYSA-N
XLogP2.19
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784560
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
CID 50784564
N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784543
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 52644614
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
CID 78830186
N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2711561
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide (CID 50784522) is N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)CC(=O)Nc3ccc(Br)cc3F)ccc21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The InChIKey is URLVBBAPHNAUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O4S/c1-21-14-6-4-11(8-15(14)22(2)17(21)24)27(25,26)9-16(23)20-13-5-3-10(18)7-12(13)19/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide has a molecular weight of 456.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide is sourced from PubChem (CID 50784522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).