N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

C23H20ClFN2O3S2 — CID 68621358

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20ClFN2O3S2/c24-21-14-19(25)9-6-18(21)15-26-22(28)23-27(12-13-31-23)32(29,30)20-10-7-17(8-11-20)16-4-2-1-3-5-16/h1-11,14,23H,12-13,15H2,(H,26,28)
InChIKeyRQDCWNYCFSGZNM-UHFFFAOYSA-N
MW491.01 g/mol
LogP4.53
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (PubChem CID 68621358) has the molecular formula C23H20ClFN2O3S2 and a molecular weight of 491.01 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
PubChem CID68621358
Molecular FormulaC23H20ClFN2O3S2
Molecular Weight491.01 g/mol
Exact Mass490.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20ClFN2O3S2/c24-21-14-19(25)9-6-18(21)15-26-22(28)23-27(12-13-31-23)32(29,30)20-10-7-17(8-11-20)16-4-2-1-3-5-16/h1-11,14,23H,12-13,15H2,(H,26,28)
InChIKeyRQDCWNYCFSGZNM-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (CID 68621358) is N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is RQDCWNYCFSGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3S2/c24-21-14-19(25)9-6-18(21)15-26-22(28)23-27(12-13-31-23)32(29,30)20-10-7-17(8-11-20)16-4-2-1-3-5-16/h1-11,14,23H,12-13,15H2,(H,26,28).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 491.01 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 68621358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).