2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid

C19H15ClN4O4S — CID 67906740

IUPAC2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid
SMILESCN(C)S(=O)(=O)n1c(-c2nc3ccccc3cc2C(=O)O)nc2cc(Cl)ccc21
InChIInChI=1S/C19H15ClN4O4S/c1-23(2)29(27,28)24-16-8-7-12(20)10-15(16)22-18(24)17-13(19(25)26)9-11-5-3-4-6-14(11)21-17/h3-10H,1-2H3,(H,25,26)
InChIKeySYYARCUEINIFDO-UHFFFAOYSA-N
MW430.87 g/mol
LogP3.26
Rot. Bonds4

About 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid

2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid (PubChem CID 67906740) has the molecular formula C19H15ClN4O4S and a molecular weight of 430.87 g/mol. Its IUPAC name is 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid
PubChem CID67906740
Molecular FormulaC19H15ClN4O4S
Molecular Weight430.87 g/mol
Exact Mass430.05
IUPAC Name2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid
SMILESCN(C)S(=O)(=O)n1c(-c2nc3ccccc3cc2C(=O)O)nc2cc(Cl)ccc21
InChIInChI=1S/C19H15ClN4O4S/c1-23(2)29(27,28)24-16-8-7-12(20)10-15(16)22-18(24)17-13(19(25)26)9-11-5-3-4-6-14(11)21-17/h3-10H,1-2H3,(H,25,26)
InChIKeySYYARCUEINIFDO-UHFFFAOYSA-N
XLogP3.26
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid?
The IUPAC name of 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid (CID 67906740) is 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid is CN(C)S(=O)(=O)n1c(-c2nc3ccccc3cc2C(=O)O)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid?
The InChIKey is SYYARCUEINIFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4S/c1-23(2)29(27,28)24-16-8-7-12(20)10-15(16)22-18(24)17-13(19(25)26)9-11-5-3-4-6-14(11)21-17/h3-10H,1-2H3,(H,25,26).
What are the key properties of 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid?
2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid has a molecular weight of 430.87 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 67906740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).