4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide

C51H48Cl2F6N6O8S3 — CID 159907556

IUPAC4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c1)c1ccc(Cl)cc1.O=C(Nc1cccc(S(=O)(=O)N2CCC(Nc3cccc(S(=O)(=O)C(F)(F)F)c3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClF3N3O3S.C25H23ClF3N3O5S2/c27-21-10-6-19(7-11-21)25(34)32-23-2-1-3-24(16-23)37(35,36)33-14-12-22(13-15-33)31-17-18-4-8-20(9-5-18)26(28,29)30;26-18-9-7-17(8-10-18)24(33)31-21-4-2-6-23(16-21)39(36,37)32-13-11-19(12-14-32)30-20-3-1-5-22(15-20)38(34,35)25(27,28)29/h1-11,16,22,31H,12-15,17H2,(H,32,34);1-10,15-16,19,30H,11-14H2,(H,31,33)
InChIKeyNWTORAIFQNTDIM-UHFFFAOYSA-N
MW1154.07 g/mol
LogP10.70
Rot. Bonds14

About 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide

4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide (PubChem CID 159907556) has the molecular formula C51H48Cl2F6N6O8S3 and a molecular weight of 1154.07 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide
PubChem CID159907556
Molecular FormulaC51H48Cl2F6N6O8S3
Molecular Weight1154.07 g/mol
Exact Mass1152.20
IUPAC Name4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c1)c1ccc(Cl)cc1.O=C(Nc1cccc(S(=O)(=O)N2CCC(Nc3cccc(S(=O)(=O)C(F)(F)F)c3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClF3N3O3S.C25H23ClF3N3O5S2/c27-21-10-6-19(7-11-21)25(34)32-23-2-1-3-24(16-23)37(35,36)33-14-12-22(13-15-33)31-17-18-4-8-20(9-5-18)26(28,29)30;26-18-9-7-17(8-10-18)24(33)31-21-4-2-6-23(16-21)39(36,37)32-13-11-19(12-14-32)30-20-3-1-5-22(15-20)38(34,35)25(27,28)29/h1-11,16,22,31H,12-15,17H2,(H,32,34);1-10,15-16,19,30H,11-14H2,(H,31,33)
InChIKeyNWTORAIFQNTDIM-UHFFFAOYSA-N
XLogP10.70
TPSA191.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.07
LogP ≤ 510.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide (CID 159907556) is 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c1)c1ccc(Cl)cc1.O=C(Nc1cccc(S(=O)(=O)N2CCC(Nc3cccc(S(=O)(=O)C(F)(F)F)c3)CC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is NWTORAIFQNTDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N3O3S.C25H23ClF3N3O5S2/c27-21-10-6-19(7-11-21)25(34)32-23-2-1-3-24(16-23)37(35,36)33-14-12-22(13-15-33)31-17-18-4-8-20(9-5-18)26(28,29)30;26-18-9-7-17(8-10-18)24(33)31-21-4-2-6-23(16-21)39(36,37)32-13-11-19(12-14-32)30-20-3-1-5-22(15-20)38(34,35)25(27,28)29/h1-11,16,22,31H,12-15,17H2,(H,32,34);1-10,15-16,19,30H,11-14H2,(H,31,33).
What are the key properties of 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide?
4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 1154.07 g/mol, XLogP of 10.70, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 159907556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).