3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide

C12H9Cl2N3O3S — CID 26718791

IUPAC3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H9Cl2N3O3S/c13-9-5-6-10(14)17-11(9)12(18)16-7-1-3-8(4-2-7)21(15,19)20/h1-6H,(H,16,18)(H2,15,19,20)
InChIKeyMABASRXGJSCBQI-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.29
Rot. Bonds3

About 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide

3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide (PubChem CID 26718791) has the molecular formula C12H9Cl2N3O3S and a molecular weight of 346.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
PubChem CID26718791
Molecular FormulaC12H9Cl2N3O3S
Molecular Weight346.20 g/mol
Exact Mass344.97
IUPAC Name3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C12H9Cl2N3O3S/c13-9-5-6-10(14)17-11(9)12(18)16-7-1-3-8(4-2-7)21(15,19)20/h1-6H,(H,16,18)(H2,15,19,20)
InChIKeyMABASRXGJSCBQI-UHFFFAOYSA-N
XLogP2.29
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.29
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-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
CID 39280839
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
4-chloro-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19579274
3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26721473
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
CID 79421839
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide (CID 26718791) is 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide?
The InChIKey is MABASRXGJSCBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3S/c13-9-5-6-10(14)17-11(9)12(18)16-7-1-3-8(4-2-7)21(15,19)20/h1-6H,(H,16,18)(H2,15,19,20).
What are the key properties of 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide has a molecular weight of 346.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26718791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).