3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide

C19H19N3O3S — CID 31309454

IUPAC3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H19N3O3S/c1-13(2)22-26(24,25)16-9-3-7-15(12-16)19(23)21-17-10-4-6-14-8-5-11-20-18(14)17/h3-13,22H,1-2H3,(H,21,23)
InChIKeyTVAMOJRTARHLPF-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.17
Rot. Bonds5

About 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide

3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide (PubChem CID 31309454) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
PubChem CID31309454
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H19N3O3S/c1-13(2)22-26(24,25)16-9-3-7-15(12-16)19(23)21-17-10-4-6-14-8-5-11-20-18(14)17/h3-13,22H,1-2H3,(H,21,23)
InChIKeyTVAMOJRTARHLPF-UHFFFAOYSA-N
XLogP3.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123442
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123697
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 112830987
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 17425201

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide (CID 31309454) is 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide?
The InChIKey is TVAMOJRTARHLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(2)22-26(24,25)16-9-3-7-15(12-16)19(23)21-17-10-4-6-14-8-5-11-20-18(14)17/h3-13,22H,1-2H3,(H,21,23).
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide?
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 31309454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).