3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide

C19H23Cl2N3O4S — CID 26354825

IUPAC3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H23Cl2N3O4S/c1-5-24(6-2)29(26,27)13-7-9-16(28-12(3)4)15(11-13)22-19(25)18-14(20)8-10-17(21)23-18/h7-12H,5-6H2,1-4H3,(H,22,25)
InChIKeyHCUSIKZICVQYDO-UHFFFAOYSA-N
MW460.38 g/mol
LogP4.46
Rot. Bonds8

About 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide

3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide (PubChem CID 26354825) has the molecular formula C19H23Cl2N3O4S and a molecular weight of 460.38 g/mol. Its IUPAC name is 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
PubChem CID26354825
Molecular FormulaC19H23Cl2N3O4S
Molecular Weight460.38 g/mol
Exact Mass459.08
IUPAC Name3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H23Cl2N3O4S/c1-5-24(6-2)29(26,27)13-7-9-16(28-12(3)4)15(11-13)22-19(25)18-14(20)8-10-17(21)23-18/h7-12H,5-6H2,1-4H3,(H,22,25)
InChIKeyHCUSIKZICVQYDO-UHFFFAOYSA-N
XLogP4.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 24509414
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]thiophene-3-carboxamide
CID 17470180
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622286
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675219
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide (CID 26354825) is 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2nc(Cl)ccc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide?
The InChIKey is HCUSIKZICVQYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O4S/c1-5-24(6-2)29(26,27)13-7-9-16(28-12(3)4)15(11-13)22-19(25)18-14(20)8-10-17(21)23-18/h7-12H,5-6H2,1-4H3,(H,22,25).
What are the key properties of 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide?
3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide has a molecular weight of 460.38 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 26354825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).