3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide

C18H18N4O3S — CID 155381106

IUPAC3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide
SMILESCNCc1ccc2cccc(NS(=O)(=O)c3cccc(C(N)=O)c3)c2n1
InChIInChI=1S/C18H18N4O3S/c1-20-11-14-9-8-12-4-3-7-16(17(12)21-14)22-26(24,25)15-6-2-5-13(10-15)18(19)23/h2-10,20,22H,11H2,1H3,(H2,19,23)
InChIKeySSQJRGQLSNTMLI-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.85
Rot. Bonds6

About 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide

3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide (PubChem CID 155381106) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide
PubChem CID155381106
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide
SMILESCNCc1ccc2cccc(NS(=O)(=O)c3cccc(C(N)=O)c3)c2n1
InChIInChI=1S/C18H18N4O3S/c1-20-11-14-9-8-12-4-3-7-16(17(12)21-14)22-26(24,25)15-6-2-5-13(10-15)18(19)23/h2-10,20,22H,11H2,1H3,(H2,19,23)
InChIKeySSQJRGQLSNTMLI-UHFFFAOYSA-N
XLogP1.85
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide
CID 155380991
1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide
CID 155381241
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]ethyl]acetamide
CID 142610126
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 155381016
3-[[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl]benzamide
CID 91642236
3-(2-hydroxyethylsulfamoyl)benzamide
CID 69287741
3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
CID 174892675
2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide
CID 155646643
3-[[4-[(3R)-3-amino-5-methylhexyl]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]benzamide
CID 174150491
(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43039121

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide?
The IUPAC name of 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide (CID 155381106) is 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide is CNCc1ccc2cccc(NS(=O)(=O)c3cccc(C(N)=O)c3)c2n1.
What is the InChIKey of 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide?
The InChIKey is SSQJRGQLSNTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-20-11-14-9-8-12-4-3-7-16(17(12)21-14)22-26(24,25)15-6-2-5-13(10-15)18(19)23/h2-10,20,22H,11H2,1H3,(H2,19,23).
What are the key properties of 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide?
3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide has a molecular weight of 370.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide is sourced from PubChem (CID 155381106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).