N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide

C22H16Cl2N4O3S2 — CID 70789474

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C22H16Cl2N4O3S2/c1-13-2-5-15(6-3-13)33(30,31)28-19-11-25-9-8-16(19)21(29)27-22-26-20(12-32-22)14-4-7-17(23)18(24)10-14/h2-12,28H,1H3,(H,26,27,29)
InChIKeyOIAAANAOBMYPEN-UHFFFAOYSA-N
MW519.44 g/mol
LogP5.87
Rot. Bonds6

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide (PubChem CID 70789474) has the molecular formula C22H16Cl2N4O3S2 and a molecular weight of 519.44 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
PubChem CID70789474
Molecular FormulaC22H16Cl2N4O3S2
Molecular Weight519.44 g/mol
Exact Mass518.00
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C22H16Cl2N4O3S2/c1-13-2-5-15(6-3-13)33(30,31)28-19-11-25-9-8-16(19)21(29)27-22-26-20(12-32-22)14-4-7-17(23)18(24)10-14/h2-12,28H,1H3,(H,26,27,29)
InChIKeyOIAAANAOBMYPEN-UHFFFAOYSA-N
XLogP5.87
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-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

3-[(4-methylphenyl)sulfonylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 70789554
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide
CID 70789452
4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789534
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 26843289
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789421
5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041309
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 71768251
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide (CID 70789474) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The InChIKey is OIAAANAOBMYPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3S2/c1-13-2-5-15(6-3-13)33(30,31)28-19-11-25-9-8-16(19)21(29)27-22-26-20(12-32-22)14-4-7-17(23)18(24)10-14/h2-12,28H,1H3,(H,26,27,29).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide has a molecular weight of 519.44 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide is sourced from PubChem (CID 70789474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).