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

C17H12ClFN2O3S2 — CID 32623146

IUPAC2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-5-6-14(18)13(8-12)16(22)21-17-20-15(9-25-17)10-3-2-4-11(19)7-10/h2-9H,1H3,(H,20,21,22)
InChIKeyWFZWXAUYFFVTGD-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.26
Rot. Bonds4

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

2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide (PubChem CID 32623146) has the molecular formula C17H12ClFN2O3S2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
PubChem CID32623146
Molecular FormulaC17H12ClFN2O3S2
Molecular Weight410.88 g/mol
Exact Mass410.00
IUPAC Name2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-5-6-14(18)13(8-12)16(22)21-17-20-15(9-25-17)10-3-2-4-11(19)7-10/h2-9H,1H3,(H,20,21,22)
InChIKeyWFZWXAUYFFVTGD-UHFFFAOYSA-N
XLogP4.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.26
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
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 32622585
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35804756
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134012243
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide (CID 32623146) is 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1.
What is the InChIKey of 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The InChIKey is WFZWXAUYFFVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-5-6-14(18)13(8-12)16(22)21-17-20-15(9-25-17)10-3-2-4-11(19)7-10/h2-9H,1H3,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide has a molecular weight of 410.88 g/mol, XLogP of 4.26, 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-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 32623146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).