2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide

C17H13ClN2O3S2 — CID 9246487

IUPAC2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-8-6-11(7-9-12)15-10-24-17(19-15)20-16(21)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyBZFJPGQQRDXKRL-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide

2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 9246487) has the molecular formula C17H13ClN2O3S2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID9246487
Molecular FormulaC17H13ClN2O3S2
Molecular Weight392.89 g/mol
Exact Mass392.01
IUPAC Name2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-8-6-11(7-9-12)15-10-24-17(19-15)20-16(21)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyBZFJPGQQRDXKRL-UHFFFAOYSA-N
XLogP4.12
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 9246518
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041309
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 4200583
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (CID 9246487) is 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is BZFJPGQQRDXKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S2/c1-25(22,23)12-8-6-11(7-9-12)15-10-24-17(19-15)20-16(21)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21).
What are the key properties of 2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 392.89 g/mol, XLogP of 4.12, 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-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 9246487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).