2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

C20H19N3O3S2 — CID 24818281

IUPAC2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Sc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N3O3S2/c1-14(15-9-11-17(12-10-15)28(21,25)26)23-19(24)18-8-5-13-22-20(18)27-16-6-3-2-4-7-16/h2-14H,1H3,(H,23,24)(H2,21,25,26)
InChIKeyJXAVSXLYUWPLSH-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.37
Rot. Bonds6

About 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 24818281) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID24818281
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Sc1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N3O3S2/c1-14(15-9-11-17(12-10-15)28(21,25)26)23-19(24)18-8-5-13-22-20(18)27-16-6-3-2-4-7-16/h2-14H,1H3,(H,23,24)(H2,21,25,26)
InChIKeyJXAVSXLYUWPLSH-UHFFFAOYSA-N
XLogP3.37
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (CID 24818281) is 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1Sc1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is JXAVSXLYUWPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-14(15-9-11-17(12-10-15)28(21,25)26)23-19(24)18-8-5-13-22-20(18)27-16-6-3-2-4-7-16/h2-14H,1H3,(H,23,24)(H2,21,25,26).
What are the key properties of 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 24818281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).