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

C17H12ClFN2O3S2 — CID 26066659

IUPAC2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-6-7-14(18)13(8-12)16(22)21-17-20-15(9-25-17)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,20,21,22)
InChIKeyCIJZKGKFQUWNRV-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.26
Rot. Bonds4

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

2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide (PubChem CID 26066659) has the molecular formula C17H12ClFN2O3S2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
PubChem CID26066659
Molecular FormulaC17H12ClFN2O3S2
Molecular Weight410.88 g/mol
Exact Mass410.00
IUPAC Name2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-6-7-14(18)13(8-12)16(22)21-17-20-15(9-25-17)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,20,21,22)
InChIKeyCIJZKGKFQUWNRV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
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
5-(cyclopropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 78831657
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
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-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide (CID 26066659) is 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
The InChIKey is CIJZKGKFQUWNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-6-7-14(18)13(8-12)16(22)21-17-20-15(9-25-17)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide?
2-chloro-N-[4-(4-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-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 26066659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).