4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide

C23H19N3O3S — CID 42534314

IUPAC4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c27-23(26-22-10-4-9-21-20(22)8-5-15-24-21)18-13-11-17(12-14-18)16-25-30(28,29)19-6-2-1-3-7-19/h1-15,25H,16H2,(H,26,27)
InChIKeyKKXOOQYNBBRJQM-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.97
Rot. Bonds6

About 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide

4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide (PubChem CID 42534314) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
PubChem CID42534314
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c27-23(26-22-10-4-9-21-20(22)8-5-15-24-21)18-13-11-17(12-14-18)16-25-30(28,29)19-6-2-1-3-7-19/h1-15,25H,16H2,(H,26,27)
InChIKeyKKXOOQYNBBRJQM-UHFFFAOYSA-N
XLogP3.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide
CID 30287242
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
4-[[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]methyl]-N-quinolin-5-ylbenzamide
CID 126485549
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38267137
N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17476450
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide
CID 55972406
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide (CID 42534314) is 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide?
The InChIKey is KKXOOQYNBBRJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-23(26-22-10-4-9-21-20(22)8-5-15-24-21)18-13-11-17(12-14-18)16-25-30(28,29)19-6-2-1-3-7-19/h1-15,25H,16H2,(H,26,27).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide?
4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 42534314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).