2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide

C18H15ClN2O3S2 — CID 26066333

IUPAC2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN2O3S2/c1-11-3-5-12(6-4-11)16-10-25-18(20-16)21-17(22)14-9-13(26(2,23)24)7-8-15(14)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyXZUBPAAXWXEFBE-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.43
Rot. Bonds4

About 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide

2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide (PubChem CID 26066333) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
PubChem CID26066333
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC Name2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN2O3S2/c1-11-3-5-12(6-4-11)16-10-25-18(20-16)21-17(22)14-9-13(26(2,23)24)7-8-15(14)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyXZUBPAAXWXEFBE-UHFFFAOYSA-N
XLogP4.43
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
2-chloro-5-(dimethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 24657619
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789474
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789534
2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 99169834
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide (CID 26066333) is 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide is Cc1ccc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The InChIKey is XZUBPAAXWXEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c1-11-3-5-12(6-4-11)16-10-25-18(20-16)21-17(22)14-9-13(26(2,23)24)7-8-15(14)19/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide has a molecular weight of 406.92 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 26066333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).