2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C17H15ClN4O3S2 — CID 2660568

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H15ClN4O3S2/c1-22(2)27(24,25)11-6-7-13(18)12(9-11)16(23)21-17-20-15(10-26-17)14-5-3-4-8-19-14/h3-10H,1-2H3,(H,20,21,23)
InChIKeyBSJIULQYPGNRAQ-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.36
Rot. Bonds5

About 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2660568) has the molecular formula C17H15ClN4O3S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2660568
Molecular FormulaC17H15ClN4O3S2
Molecular Weight422.92 g/mol
Exact Mass422.03
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H15ClN4O3S2/c1-22(2)27(24,25)11-6-7-13(18)12(9-11)16(23)21-17-20-15(10-26-17)14-5-3-4-8-19-14/h3-10H,1-2H3,(H,20,21,23)
InChIKeyBSJIULQYPGNRAQ-UHFFFAOYSA-N
XLogP3.36
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-[5-(5-benzenesulphonamido-6-chloropyridin-3-yl)-4-methylthiazol-2-yl]acetamide
CID 11541283
N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 121445752
2-(methylsulfanyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2526359
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248
3-Chloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 3534313
4-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158223
4-Methyl-3-(morpholine-4-sulfonyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4853613
3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4853713
4-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5002053
3-((4-chlorophenyl)sulfonyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)propanamide
CID 22581367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2660568) is 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BSJIULQYPGNRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S2/c1-22(2)27(24,25)11-6-7-13(18)12(9-11)16(23)21-17-20-15(10-26-17)14-5-3-4-8-19-14/h3-10H,1-2H3,(H,20,21,23).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 422.92 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2660568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).