(E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide

C20H18Cl2N2O2S2 — CID 10253374

IUPAC(E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide
SMILESCCCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O2S2/c1-2-5-18-19(15-8-10-16(21)11-9-15)23-20(27-18)24-28(25,26)13-12-14-6-3-4-7-17(14)22/h3-4,6-13H,2,5H2,1H3,(H,23,24)/b13-12+
InChIKeyGODAADHOVFGQSP-OUKQBFOZSA-N
MW453.42 g/mol
LogP6.48
Rot. Bonds7

About (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide

(E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide (PubChem CID 10253374) has the molecular formula C20H18Cl2N2O2S2 and a molecular weight of 453.42 g/mol. Its IUPAC name is (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide
PubChem CID10253374
Molecular FormulaC20H18Cl2N2O2S2
Molecular Weight453.42 g/mol
Exact Mass452.02
IUPAC Name(E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide
SMILESCCCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O2S2/c1-2-5-18-19(15-8-10-16(21)11-9-15)23-20(27-18)24-28(25,26)13-12-14-6-3-4-7-17(14)22/h3-4,6-13H,2,5H2,1H3,(H,23,24)/b13-12+
InChIKeyGODAADHOVFGQSP-OUKQBFOZSA-N
XLogP6.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide?
The IUPAC name of (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide (CID 10253374) is (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide is CCCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide?
The InChIKey is GODAADHOVFGQSP-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S2/c1-2-5-18-19(15-8-10-16(21)11-9-15)23-20(27-18)24-28(25,26)13-12-14-6-3-4-7-17(14)22/h3-4,6-13H,2,5H2,1H3,(H,23,24)/b13-12+.
What are the key properties of (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide?
(E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide has a molecular weight of 453.42 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chlorophenyl)-N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide is sourced from PubChem (CID 10253374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).