4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C47H46Cl3F3N6O6S4 — CID 87631975

IUPAC4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClF3N3O3S2.C23H23Cl2N3O3S2/c25-18-5-1-16(2-6-18)23(32)29-15-21-9-10-22(35-21)36(33,34)31-13-11-20(12-14-31)30-19-7-3-17(4-8-19)24(26,27)28;24-17-3-1-16(2-4-17)23(29)26-15-21-9-10-22(32-21)33(30,31)28-13-11-20(12-14-28)27-19-7-5-18(25)6-8-19/h1-10,20,30H,11-15H2,(H,29,32);1-10,20,27H,11-15H2,(H,26,29)
InChIKeyZWYVBAKKPCVTOI-UHFFFAOYSA-N
MW1082.54 g/mol
LogP10.87
Rot. Bonds14

About 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 87631975) has the molecular formula C47H46Cl3F3N6O6S4 and a molecular weight of 1082.54 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID87631975
Molecular FormulaC47H46Cl3F3N6O6S4
Molecular Weight1082.54 g/mol
Exact Mass1080.14
IUPAC Name4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClF3N3O3S2.C23H23Cl2N3O3S2/c25-18-5-1-16(2-6-18)23(32)29-15-21-9-10-22(35-21)36(33,34)31-13-11-20(12-14-31)30-19-7-3-17(4-8-19)24(26,27)28;24-17-3-1-16(2-4-17)23(29)26-15-21-9-10-22(32-21)33(30,31)28-13-11-20(12-14-28)27-19-7-5-18(25)6-8-19/h1-10,20,30H,11-15H2,(H,29,32);1-10,20,27H,11-15H2,(H,26,29)
InChIKeyZWYVBAKKPCVTOI-UHFFFAOYSA-N
XLogP10.87
TPSA157.02 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.54
LogP ≤ 510.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 87631975) is 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is ZWYVBAKKPCVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O3S2.C23H23Cl2N3O3S2/c25-18-5-1-16(2-6-18)23(32)29-15-21-9-10-22(35-21)36(33,34)31-13-11-20(12-14-31)30-19-7-3-17(4-8-19)24(26,27)28;24-17-3-1-16(2-4-17)23(29)26-15-21-9-10-22(32-21)33(30,31)28-13-11-20(12-14-28)27-19-7-5-18(25)6-8-19/h1-10,20,30H,11-15H2,(H,29,32);1-10,20,27H,11-15H2,(H,26,29).
What are the key properties of 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 1082.54 g/mol, XLogP of 10.87, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 87631975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).