2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide

C13H11Cl2N3O3S — CID 84580537

IUPAC2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2N3O3S/c14-11-5-9(6-12(15)18-11)13(19)17-7-8-1-3-10(4-2-8)22(16,20)21/h1-6H,7H2,(H,17,19)(H2,16,20,21)
InChIKeyIGRUFBKFLUQXQU-UHFFFAOYSA-N
MW360.22 g/mol
LogP1.97
Rot. Bonds4

About 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 84580537) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
PubChem CID84580537
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2N3O3S/c14-11-5-9(6-12(15)18-11)13(19)17-7-8-1-3-10(4-2-8)22(16,20)21/h1-6H,7H2,(H,17,19)(H2,16,20,21)
InChIKeyIGRUFBKFLUQXQU-UHFFFAOYSA-N
XLogP1.97
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 77087766
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 28934838

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide (CID 84580537) is 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is IGRUFBKFLUQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-11-5-9(6-12(15)18-11)13(19)17-7-8-1-3-10(4-2-8)22(16,20)21/h1-6H,7H2,(H,17,19)(H2,16,20,21).
What are the key properties of 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 360.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 84580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).