2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide

C23H20Cl3N3O5S — CID 18740299

IUPAC2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide
SMILESCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)nc2Cl)cc1Cl)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C23H20Cl3N3O5S/c1-3-19(35(33,34)13-6-4-5-12(2)9-13)23(32)27-16-11-18(30)17(10-15(16)24)28-22(31)14-7-8-20(25)29-21(14)26/h4-11,19,30H,3H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyPKCGGZIWPOJDFC-UHFFFAOYSA-N
MW556.86 g/mol
LogP5.50
Rot. Bonds7

About 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide

2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 18740299) has the molecular formula C23H20Cl3N3O5S and a molecular weight of 556.86 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide
PubChem CID18740299
Molecular FormulaC23H20Cl3N3O5S
Molecular Weight556.86 g/mol
Exact Mass555.02
IUPAC Name2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide
SMILESCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)nc2Cl)cc1Cl)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C23H20Cl3N3O5S/c1-3-19(35(33,34)13-6-4-5-12(2)9-13)23(32)27-16-11-18(30)17(10-15(16)24)28-22(31)14-7-8-20(25)29-21(14)26/h4-11,19,30H,3H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyPKCGGZIWPOJDFC-UHFFFAOYSA-N
XLogP5.50
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.86
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-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-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-hydroxybenzamide
CID 59950442
N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-2-chloro-4-methylbenzamide
CID 59950451
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-phenoxybutanamide
CID 20665617
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)
CID 91365378
5-chloro-N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide
CID 59941862
N-[2-chloro-5-hydroxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(4-methylphenyl)sulfonylbutanamide
CID 20618135
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide
CID 22964937
N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenyl)sulfonylbutanoylamino]phenyl]naphthalene-2-carboxamide
CID 22955775
3-chloro-N-[5-chloro-2-hydroxy-4-[2-(2-methylpyrimidin-5-yl)sulfonylbutanoylamino]phenyl]-4-fluorobenzamide
CID 59935585
3-chloro-N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-(methylideneamino)benzamide
CID 22952651
2-acetamido-N-[4-[2-[3,4-bis(methylsulfanyl)phenyl]sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 22979704
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 59941888

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide (CID 18740299) is 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide is CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)nc2Cl)cc1Cl)S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is PKCGGZIWPOJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N3O5S/c1-3-19(35(33,34)13-6-4-5-12(2)9-13)23(32)27-16-11-18(30)17(10-15(16)24)28-22(31)14-7-8-20(25)29-21(14)26/h4-11,19,30H,3H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide?
2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 556.86 g/mol, XLogP of 5.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 18740299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).