N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide

C19H19N3O3S — CID 77081152

IUPACN,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccnc3ccccc23)c1
InChIInChI=1S/C19H19N3O3S/c1-22(2)19(23)14-6-5-7-16(12-14)26(24,25)21-13-15-10-11-20-18-9-4-3-8-17(15)18/h3-12,21H,13H2,1-2H3
InChIKeyQCVQITYYELRRNF-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.42
Rot. Bonds5

About N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide

N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide (PubChem CID 77081152) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
PubChem CID77081152
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccnc3ccccc23)c1
InChIInChI=1S/C19H19N3O3S/c1-22(2)19(23)14-6-5-7-16(12-14)26(24,25)21-13-15-10-11-20-18-9-4-3-8-17(15)18/h3-12,21H,13H2,1-2H3
InChIKeyQCVQITYYELRRNF-UHFFFAOYSA-N
XLogP2.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042080
3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 24891714
3-acetyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660374
N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
CID 77082477
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
CID 77089087
3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide
CID 77089537
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide (CID 77081152) is N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide is CN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccnc3ccccc23)c1.
What is the InChIKey of N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is QCVQITYYELRRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22(2)19(23)14-6-5-7-16(12-14)26(24,25)21-13-15-10-11-20-18-9-4-3-8-17(15)18/h3-12,21H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide?
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 77081152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).