1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole

C14H11ClN2O3S — CID 741690

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C14H11ClN2O3S/c1-20-13-7-6-10(15)8-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyPWQPVRGSCAIDNY-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.94
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole

1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole (PubChem CID 741690) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole
PubChem CID741690
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C14H11ClN2O3S/c1-20-13-7-6-10(15)8-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3
InChIKeyPWQPVRGSCAIDNY-UHFFFAOYSA-N
XLogP2.94
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole (CID 741690) is 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole is COc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole?
The InChIKey is PWQPVRGSCAIDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-20-13-7-6-10(15)8-14(13)21(18,19)17-9-16-11-4-2-3-5-12(11)17/h2-9H,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole?
1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole has a molecular weight of 322.77 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 741690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).