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

C15H17N3O3S2 — CID 46888012

IUPAC2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1
InChIInChI=1S/C15H17N3O3S2/c1-2-8-17-14(19)13-9-12(23(16,20)21)10-18-15(13)22-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyVMQRRWYNFJEGEJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.02
Rot. Bonds6

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

2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide (PubChem CID 46888012) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide
PubChem CID46888012
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1
InChIInChI=1S/C15H17N3O3S2/c1-2-8-17-14(19)13-9-12(23(16,20)21)10-18-15(13)22-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyVMQRRWYNFJEGEJ-UHFFFAOYSA-N
XLogP2.02
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.02
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
N-cycloheptyl-2-methylsulfanylpyridine-3-carboxamide
CID 2505911
2-(methylsulfanyl)-N-[3-(pyrrolidine-1-sulfonyl)phenyl]pyridine-3-carboxamide
CID 3672825
2-(Methylthio)-N-(3-(morpholinosulfonyl)phenyl)nicotinamide
CID 4308744
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
N-cyclooctyl-2-methylsulfanylpyridine-3-carboxamide
CID 8119543

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide (CID 46888012) is 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide is CCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide?
The InChIKey is VMQRRWYNFJEGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-2-8-17-14(19)13-9-12(23(16,20)21)10-18-15(13)22-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide?
2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-propyl-5-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 46888012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).