N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide

C18H16N4O3S2 — CID 46887939

IUPACN-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Sc2ccccn2)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H16N4O3S2/c19-27(24,25)14-7-8-16(26-17-6-2-4-10-21-17)15(11-14)18(23)22-12-13-5-1-3-9-20-13/h1-11H,12H2,(H,22,23)(H2,19,24,25)
InChIKeyFQUCBGMMKAOFQC-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.21
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide

N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide (PubChem CID 46887939) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide
PubChem CID46887939
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC NameN-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Sc2ccccn2)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H16N4O3S2/c19-27(24,25)14-7-8-16(26-17-6-2-4-10-21-17)15(11-14)18(23)22-12-13-5-1-3-9-20-13/h1-11H,12H2,(H,22,23)(H2,19,24,25)
InChIKeyFQUCBGMMKAOFQC-UHFFFAOYSA-N
XLogP2.21
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 3712018
4-(Benzyl-methanesulfonyl-amino)-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
CID 2262896
4-({[(2,5-dimethylphenyl)sulfonyl]amino}methyl)-N-(2-pyridinylmethyl)benzamide
CID 984361
4-methyl-3-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 1249567
4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 2532820
3-(azepan-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 2537337
3-(piperidin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 2666416
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 4782429
4-methyl-3-(piperidin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 6462872
3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 9414558
4-[(2-fluorophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414601

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide (CID 46887939) is N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Sc2ccccn2)c(C(=O)NCc2ccccn2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide?
The InChIKey is FQUCBGMMKAOFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c19-27(24,25)14-7-8-16(26-17-6-2-4-10-21-17)15(11-14)18(23)22-12-13-5-1-3-9-20-13/h1-11H,12H2,(H,22,23)(H2,19,24,25).
What are the key properties of N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide?
N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide has a molecular weight of 400.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-pyridin-2-ylsulfanyl-5-sulfamoylbenzamide is sourced from PubChem (CID 46887939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).