3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide

C14H13Cl2N3O3S — CID 26721473

IUPAC3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H13Cl2N3O3S/c1-19(2)23(21,22)10-5-3-4-9(8-10)17-14(20)13-11(15)6-7-12(16)18-13/h3-8H,1-2H3,(H,17,20)
InChIKeyAUGAVYLFSLNJQP-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.89
Rot. Bonds4

About 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide

3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 26721473) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
PubChem CID26721473
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Name3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H13Cl2N3O3S/c1-19(2)23(21,22)10-5-3-4-9(8-10)17-14(20)13-11(15)6-7-12(16)18-13/h3-8H,1-2H3,(H,17,20)
InChIKeyAUGAVYLFSLNJQP-UHFFFAOYSA-N
XLogP2.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 8961643
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 26718791

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide (CID 26721473) is 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AUGAVYLFSLNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c1-19(2)23(21,22)10-5-3-4-9(8-10)17-14(20)13-11(15)6-7-12(16)18-13/h3-8H,1-2H3,(H,17,20).
What are the key properties of 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide?
3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 374.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 26721473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).