2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

C22H17ClFN3O4S — CID 50824286

IUPAC2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C22H17ClFN3O4S/c1-26-18-11-17(25-21(28)15-5-3-4-6-16(15)23)20(12-19(18)27(2)22(26)29)32(30,31)14-9-7-13(24)8-10-14/h3-12H,1-2H3,(H,25,28)
InChIKeyUYQKNMBPURZJLU-UHFFFAOYSA-N
MW473.91 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (PubChem CID 50824286) has the molecular formula C22H17ClFN3O4S and a molecular weight of 473.91 g/mol. Its IUPAC name is 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
PubChem CID50824286
Molecular FormulaC22H17ClFN3O4S
Molecular Weight473.91 g/mol
Exact Mass473.06
IUPAC Name2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C22H17ClFN3O4S/c1-26-18-11-17(25-21(28)15-5-3-4-6-16(15)23)20(12-19(18)27(2)22(26)29)32(30,31)14-9-7-13(24)8-10-14/h3-12H,1-2H3,(H,25,28)
InChIKeyUYQKNMBPURZJLU-UHFFFAOYSA-N
XLogP3.75
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50824297
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50824374
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 50824264
N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 50824237
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide
CID 50773210
N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
CID 50824359
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
CID 50824372
4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide
CID 50824182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (CID 50824286) is 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)c3ccccc3Cl)cc21.
What is the InChIKey of 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The InChIKey is UYQKNMBPURZJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O4S/c1-26-18-11-17(25-21(28)15-5-3-4-6-16(15)23)20(12-19(18)27(2)22(26)29)32(30,31)14-9-7-13(24)8-10-14/h3-12H,1-2H3,(H,25,28).
What are the key properties of 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide has a molecular weight of 473.91 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is sourced from PubChem (CID 50824286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).