2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide

C18H11Cl2N3O3S2 — CID 142611674

IUPAC2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide
SMILESO=c1c2cccnc2sn1-c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11Cl2N3O3S2/c19-11-3-5-12(6-4-11)22-28(25,26)16-10-13(7-8-15(16)20)23-18(24)14-2-1-9-21-17(14)27-23/h1-10,22H
InChIKeyDTFXWXCRUHYYPC-UHFFFAOYSA-N
MW452.34 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide

2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide (PubChem CID 142611674) has the molecular formula C18H11Cl2N3O3S2 and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide
PubChem CID142611674
Molecular FormulaC18H11Cl2N3O3S2
Molecular Weight452.34 g/mol
Exact Mass450.96
IUPAC Name2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide
SMILESO=c1c2cccnc2sn1-c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11Cl2N3O3S2/c19-11-3-5-12(6-4-11)22-28(25,26)16-10-13(7-8-15(16)20)23-18(24)14-2-1-9-21-17(14)27-23/h1-10,22H
InChIKeyDTFXWXCRUHYYPC-UHFFFAOYSA-N
XLogP4.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10400502
2-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 142611659
5-chloro-N-(4-chlorophenyl)-8-hydroxyquinoline-7-sulfonamide
CID 18372613
2-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 4075586
N-(4-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456810
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521098
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
2,4,5-trichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202651
2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 17394882
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535
2-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 113353666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide (CID 142611674) is 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide is O=c1c2cccnc2sn1-c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide?
The InChIKey is DTFXWXCRUHYYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O3S2/c19-11-3-5-12(6-4-11)22-28(25,26)16-10-13(7-8-15(16)20)23-18(24)14-2-1-9-21-17(14)27-23/h1-10,22H.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide?
2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide has a molecular weight of 452.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 142611674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).