N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide

C14H14FN3O3S2 — CID 46888058

IUPACN-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1
InChIInChI=1S/C14H14FN3O3S2/c1-2-17-13(19)12-7-11(23(16,20)21)8-18-14(12)22-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyAUKODXIXKPYFEV-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.77
Rot. Bonds5

About N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide

N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide (PubChem CID 46888058) has the molecular formula C14H14FN3O3S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide
PubChem CID46888058
Molecular FormulaC14H14FN3O3S2
Molecular Weight355.42 g/mol
Exact Mass355.05
IUPAC NameN-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1
InChIInChI=1S/C14H14FN3O3S2/c1-2-17-13(19)12-7-11(23(16,20)21)8-18-14(12)22-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyAUKODXIXKPYFEV-UHFFFAOYSA-N
XLogP1.77
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide (CID 46888058) is N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide is CCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide?
The InChIKey is AUKODXIXKPYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S2/c1-2-17-13(19)12-7-11(23(16,20)21)8-18-14(12)22-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide?
N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)sulfanyl-5-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 46888058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).