1-(2,5-dichlorophenyl)sulfonylbenzimidazole

C13H8Cl2N2O2S — CID 684718

IUPAC1-(2,5-dichlorophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)n1cnc2ccccc21
InChIInChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H
InChIKeyPXUHMEZESKEPKJ-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.58
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonylbenzimidazole

1-(2,5-dichlorophenyl)sulfonylbenzimidazole (PubChem CID 684718) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonylbenzimidazole
PubChem CID684718
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name1-(2,5-dichlorophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)n1cnc2ccccc21
InChIInChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H
InChIKeyPXUHMEZESKEPKJ-UHFFFAOYSA-N
XLogP3.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
CID 746713
1-[(4-chlorophenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 976018
Cambridge id 6957993
CID 1326313
1-((4-Chlorophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 1088439
4-Chloro-N-[(1R)-1-(1-ethyl-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177019
1-(4-Fluorophenyl)sulfonylbenzimidazole
CID 684711
1-(Benzenesulfonyl)benzimidazole
CID 700150
1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
CID 805589
N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide
CID 645632
4-Chloro-1-[(2-methylbenzimidazolyl)sulfonyl]benzene
CID 763279
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
CID 1462197
2,5-dichloro-N-(1,5,6-trimethyl-4-benzimidazolyl)benzenesulfonamide
CID 1474190

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonylbenzimidazole (CID 684718) is 1-(2,5-dichlorophenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonylbenzimidazole is O=S(=O)(c1cc(Cl)ccc1Cl)n1cnc2ccccc21.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
The InChIKey is PXUHMEZESKEPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
1-(2,5-dichlorophenyl)sulfonylbenzimidazole has a molecular weight of 327.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonylbenzimidazole is sourced from PubChem (CID 684718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).