5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one

C14H11ClN2O4S — CID 46232825

IUPAC5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one
SMILESCOc1cccc(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c1
InChIInChI=1S/C14H11ClN2O4S/c1-21-10-3-2-4-11(8-10)22(19,20)17-13-7-9(15)5-6-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyDOISXLKSSWUGNW-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one

5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one (PubChem CID 46232825) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one
PubChem CID46232825
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one
SMILESCOc1cccc(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c1
InChIInChI=1S/C14H11ClN2O4S/c1-21-10-3-2-4-11(8-10)22(19,20)17-13-7-9(15)5-6-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyDOISXLKSSWUGNW-UHFFFAOYSA-N
XLogP2.23
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one (CID 46232825) is 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one is COc1cccc(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one?
The InChIKey is DOISXLKSSWUGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c1-21-10-3-2-4-11(8-10)22(19,20)17-13-7-9(15)5-6-12(13)16-14(17)18/h2-8H,1H3,(H,16,18).
What are the key properties of 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one?
5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one has a molecular weight of 338.77 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one is sourced from PubChem (CID 46232825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).