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

C16H18FN3O4S2 — CID 46888060

IUPAC2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1
InChIInChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyCTPNBKNKDDNPCB-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.79
Rot. Bonds8

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

2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide (PubChem CID 46888060) has the molecular formula C16H18FN3O4S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide
PubChem CID46888060
Molecular FormulaC16H18FN3O4S2
Molecular Weight399.47 g/mol
Exact Mass399.07
IUPAC Name2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1
InChIInChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyCTPNBKNKDDNPCB-UHFFFAOYSA-N
XLogP1.79
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide (CID 46888060) is 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide is COCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide?
The InChIKey is CTPNBKNKDDNPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide?
2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-N-(3-methoxypropyl)-5-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 46888060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).