1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one

C21H13N3O4S2 — CID 42792223

IUPAC1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one
SMILESO=C(c1cccs1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C21H13N3O4S2/c25-20(17-10-5-13-29-17)23-15-8-1-2-9-16(15)24(21(23)26)30(27,28)18-11-3-6-14-7-4-12-22-19(14)18/h1-13H
InChIKeyQYLVGMWPLHSGAP-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.34
Rot. Bonds3

About 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one

1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one (PubChem CID 42792223) has the molecular formula C21H13N3O4S2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one
PubChem CID42792223
Molecular FormulaC21H13N3O4S2
Molecular Weight435.49 g/mol
Exact Mass435.03
IUPAC Name1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one
SMILESO=C(c1cccs1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C21H13N3O4S2/c25-20(17-10-5-13-29-17)23-15-8-1-2-9-16(15)24(21(23)26)30(27,28)18-11-3-6-14-7-4-12-22-19(14)18/h1-13H
InChIKeyQYLVGMWPLHSGAP-UHFFFAOYSA-N
XLogP3.34
TPSA91.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792211
1-(2-fluorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792234
1-(3,4-dichlorobenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792233
1-(2-phenoxyacetyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792229
1-(4-pentylbenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792238
1-dodecanoyl-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 4210945
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-piperidin-1-ylsulfonylquinoline
CID 768759
hydron;quinolin-8-yl thiophene-2-carboxylate;chloride
CID 652773
N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide
CID 21143598
8-methylsulfanylsulfonylquinoline
CID 913226
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one?
The IUPAC name of 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one (CID 42792223) is 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one.
What is the SMILES notation for 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one?
The canonical SMILES for 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one is O=C(c1cccs1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2ccccc21.
What is the InChIKey of 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one?
The InChIKey is QYLVGMWPLHSGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O4S2/c25-20(17-10-5-13-29-17)23-15-8-1-2-9-16(15)24(21(23)26)30(27,28)18-11-3-6-14-7-4-12-22-19(14)18/h1-13H.
What are the key properties of 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one?
1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one has a molecular weight of 435.49 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonyl-3-(thiophene-2-carbonyl)benzimidazol-2-one is sourced from PubChem (CID 42792223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).