5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide

C12H10ClFN2O3S2 — CID 87724023

IUPAC5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ncc(S(C)(=O)=O)s2)c1F
InChIInChI=1S/C12H10ClFN2O3S2/c1-6-3-7(13)4-8(10(6)14)11(17)16-12-15-5-9(20-12)21(2,18)19/h3-5H,1-2H3,(H,15,16,17)
InChIKeyFRARGTNRQKZKJK-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.90
Rot. Bonds3

About 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide

5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide (PubChem CID 87724023) has the molecular formula C12H10ClFN2O3S2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide
PubChem CID87724023
Molecular FormulaC12H10ClFN2O3S2
Molecular Weight348.81 g/mol
Exact Mass347.98
IUPAC Name5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ncc(S(C)(=O)=O)s2)c1F
InChIInChI=1S/C12H10ClFN2O3S2/c1-6-3-7(13)4-8(10(6)14)11(17)16-12-15-5-9(20-12)21(2,18)19/h3-5H,1-2H3,(H,15,16,17)
InChIKeyFRARGTNRQKZKJK-UHFFFAOYSA-N
XLogP2.90
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide (CID 87724023) is 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide is Cc1cc(Cl)cc(C(=O)Nc2ncc(S(C)(=O)=O)s2)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FRARGTNRQKZKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3S2/c1-6-3-7(13)4-8(10(6)14)11(17)16-12-15-5-9(20-12)21(2,18)19/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide?
5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 348.81 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 87724023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).