N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide

C23H17ClF2N2O4S2 — CID 130385703

IUPACN-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2F)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C23H17ClF2N2O4S2/c1-13-10-15(22(30)27-34(31,32)20-9-5-16(24)11-18(20)26)4-8-19(13)28-21(29)12-33-23(28)14-2-6-17(25)7-3-14/h2-11,23H,12H2,1H3,(H,27,30)
InChIKeyIWIDWCWHIRTEPX-UHFFFAOYSA-N
MW522.98 g/mol
LogP4.82
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide

N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide (PubChem CID 130385703) has the molecular formula C23H17ClF2N2O4S2 and a molecular weight of 522.98 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
PubChem CID130385703
Molecular FormulaC23H17ClF2N2O4S2
Molecular Weight522.98 g/mol
Exact Mass522.03
IUPAC NameN-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2F)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C23H17ClF2N2O4S2/c1-13-10-15(22(30)27-34(31,32)20-9-5-16(24)11-18(20)26)4-8-19(13)28-21(29)12-33-23(28)14-2-6-17(25)7-3-14/h2-11,23H,12H2,1H3,(H,27,30)
InChIKeyIWIDWCWHIRTEPX-UHFFFAOYSA-N
XLogP4.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.98
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide (CID 130385703) is N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide is Cc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2F)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
The InChIKey is IWIDWCWHIRTEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N2O4S2/c1-13-10-15(22(30)27-34(31,32)20-9-5-16(24)11-18(20)26)4-8-19(13)28-21(29)12-33-23(28)14-2-6-17(25)7-3-14/h2-11,23H,12H2,1H3,(H,27,30).
What are the key properties of N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide has a molecular weight of 522.98 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 130385703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).