N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide

C14H15N3O3S2 — CID 46887974

IUPACN-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1
InChIInChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyPWAINXTYUTUOAR-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.63
Rot. Bonds5

About N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide

N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide (PubChem CID 46887974) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide
PubChem CID46887974
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC NameN-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1
InChIInChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyPWAINXTYUTUOAR-UHFFFAOYSA-N
XLogP1.63
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201382
N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201383
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
2-(methylsulfanyl)-N-[3-(pyrrolidine-1-sulfonyl)phenyl]pyridine-3-carboxamide
CID 3672825
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
N-(4-Fluoro-phenyl)-6-methanesulfonyl-1-oxy-nicotinamide
CID 9883149
6-Ethanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
CID 9967031
6-Benzenesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotinamide
CID 9969483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide (CID 46887974) is N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide is CCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1.
What is the InChIKey of N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
The InChIKey is PWAINXTYUTUOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 46887974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).