3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid

C19H16N2O4S — CID 56881302

IUPAC3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cccc3cccnc23)cc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H16N2O4S/c22-19(23)14-9-13(10-16(11-14)26(24,25)21-15-6-7-15)17-5-1-3-12-4-2-8-20-18(12)17/h1-5,8-11,15,21H,6-7H2,(H,22,23)
InChIKeyZURVJVLWWNSTGU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.04
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid

3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid (PubChem CID 56881302) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid
PubChem CID56881302
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cccc3cccnc23)cc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H16N2O4S/c22-19(23)14-9-13(10-16(11-14)26(24,25)21-15-6-7-15)17-5-1-3-12-4-2-8-20-18(12)17/h1-5,8-11,15,21H,6-7H2,(H,22,23)
InChIKeyZURVJVLWWNSTGU-UHFFFAOYSA-N
XLogP3.04
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 56863848
3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
CID 21085789
N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
CID 135215672
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
methyl 3-quinolin-8-ylbenzoate
CID 4189037
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
8-pyridin-3-ylquinoline-6-carboxylic acid
CID 156718043
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493
8-sulfamoylquinoline-6-carboxylic acid
CID 50989782
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline
CID 144854633
3-(3-quinolin-8-ylphenyl)butanoic acid
CID 82543049

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid?
The IUPAC name of 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid (CID 56881302) is 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid is O=C(O)c1cc(-c2cccc3cccnc23)cc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid?
The InChIKey is ZURVJVLWWNSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(23)14-9-13(10-16(11-14)26(24,25)21-15-6-7-15)17-5-1-3-12-4-2-8-20-18(12)17/h1-5,8-11,15,21H,6-7H2,(H,22,23).
What are the key properties of 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid?
3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid has a molecular weight of 368.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid is sourced from PubChem (CID 56881302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).