N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide

C16H11BrClN3O3S — CID 167865900

IUPACN-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3cccc(Br)c3n2)c1
InChIInChI=1S/C16H11BrClN3O3S/c17-12-3-1-2-9-4-7-14(20-15(9)12)21-16(22)11-8-10(25(19,23)24)5-6-13(11)18/h1-8H,(H2,19,23,24)(H,20,21,22)
InChIKeyTVMWYGFKKGJXAD-UHFFFAOYSA-N
MW440.71 g/mol
LogP3.55
Rot. Bonds3

About N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide

N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide (PubChem CID 167865900) has the molecular formula C16H11BrClN3O3S and a molecular weight of 440.71 g/mol. Its IUPAC name is N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide
PubChem CID167865900
Molecular FormulaC16H11BrClN3O3S
Molecular Weight440.71 g/mol
Exact Mass438.94
IUPAC NameN-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3cccc(Br)c3n2)c1
InChIInChI=1S/C16H11BrClN3O3S/c17-12-3-1-2-9-4-7-14(20-15(9)12)21-16(22)11-8-10(25(19,23)24)5-6-13(11)18/h1-8H,(H2,19,23,24)(H,20,21,22)
InChIKeyTVMWYGFKKGJXAD-UHFFFAOYSA-N
XLogP3.55
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.71
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
N-(2-chloro-4-sulfamoylphenyl)-2-iodobenzamide
CID 43246729
2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
CID 134050397
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116
2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide
CID 154873489

Frequently Asked Questions

What is the IUPAC name of N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide?
The IUPAC name of N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide (CID 167865900) is N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide?
The canonical SMILES for N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3cccc(Br)c3n2)c1.
What is the InChIKey of N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide?
The InChIKey is TVMWYGFKKGJXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O3S/c17-12-3-1-2-9-4-7-14(20-15(9)12)21-16(22)11-8-10(25(19,23)24)5-6-13(11)18/h1-8H,(H2,19,23,24)(H,20,21,22).
What are the key properties of N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide?
N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide has a molecular weight of 440.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide is sourced from PubChem (CID 167865900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).