6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide

C9H12ClN3O3S — CID 62234046

IUPAC6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C9H12ClN3O3S/c10-8-4-1-3-7(13-8)9(14)12-5-2-6-17(11,15)16/h1,3-4H,2,5-6H2,(H,12,14)(H2,11,15,16)
InChIKeyKIYLRPJYUCAYGU-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.14
Rot. Bonds5

About 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide

6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide (PubChem CID 62234046) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
PubChem CID62234046
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C9H12ClN3O3S/c10-8-4-1-3-7(13-8)9(14)12-5-2-6-17(11,15)16/h1,3-4H,2,5-6H2,(H,12,14)(H2,11,15,16)
InChIKeyKIYLRPJYUCAYGU-UHFFFAOYSA-N
XLogP0.14
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide (CID 62234046) is 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide is NS(=O)(=O)CCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide?
The InChIKey is KIYLRPJYUCAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c10-8-4-1-3-7(13-8)9(14)12-5-2-6-17(11,15)16/h1,3-4H,2,5-6H2,(H,12,14)(H2,11,15,16).
What are the key properties of 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide?
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide has a molecular weight of 277.73 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62234046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).