5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

C16H11Cl2N5O3S — CID 2082391

IUPAC5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2N5O3S/c17-13-8-10(9-21-14(13)18)15(24)22-11-2-4-12(5-3-11)27(25,26)23-16-19-6-1-7-20-16/h1-9H,(H,22,24)(H,19,20,23)
InChIKeyNTJZNEDQLLHJDV-UHFFFAOYSA-N
MW424.27 g/mol
LogP3.23
Rot. Bonds5

About 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 2082391) has the molecular formula C16H11Cl2N5O3S and a molecular weight of 424.27 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID2082391
Molecular FormulaC16H11Cl2N5O3S
Molecular Weight424.27 g/mol
Exact Mass423.00
IUPAC Name5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2N5O3S/c17-13-8-10(9-21-14(13)18)15(24)22-11-2-4-12(5-3-11)27(25,26)23-16-19-6-1-7-20-16/h1-9H,(H,22,24)(H,19,20,23)
InChIKeyNTJZNEDQLLHJDV-UHFFFAOYSA-N
XLogP3.23
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
(2E)-3-(2-Chlorophenyl)-N-{4-[(pyrimidin-2-YL)sulfamoyl]phenyl}prop-2-enamide
CID 1105815
3-(4-Chlorophenyl)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)acrylamide
CID 1115931
4-chloro-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 15650516
N-(5-Chloro-pyridin-2-yl)-4-[(2''-sulfamoyl-biphenyl-4-carbonyl)-amino]-nicotinamide
CID 18728158
2,4-dichloro-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 145963235
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525797
US11377438, Example 53
CID 146525760
5-Bromo-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-nicotinamide
CID 1084477

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 2082391) is 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NTJZNEDQLLHJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O3S/c17-13-8-10(9-21-14(13)18)15(24)22-11-2-4-12(5-3-11)27(25,26)23-16-19-6-1-7-20-16/h1-9H,(H,22,24)(H,19,20,23).
What are the key properties of 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 424.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2082391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).