N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide

C51H51Cl2F3N6O6S2 — CID 157420618

IUPACN-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCC(NCCc3cccc(C(F)(F)F)c3)CC2)c1)c1ccc(Cl)cc1.O=C(Nc1cccc(S(=O)(=O)N2CCC(Nc3ccccc3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27ClF3N3O3S.C24H24ClN3O3S/c28-22-9-7-20(8-10-22)26(35)33-24-5-2-6-25(18-24)38(36,37)34-15-12-23(13-16-34)32-14-11-19-3-1-4-21(17-19)27(29,30)31;25-19-11-9-18(10-12-19)24(29)27-22-7-4-8-23(17-22)32(30,31)28-15-13-21(14-16-28)26-20-5-2-1-3-6-20/h1-10,17-18,23,32H,11-16H2,(H,33,35);1-12,17,21,26H,13-16H2,(H,27,29)
InChIKeyBPIYOQICPIBETG-UHFFFAOYSA-N
MW1036.04 g/mol
LogP10.45
Rot. Bonds14

About N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide

N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide (PubChem CID 157420618) has the molecular formula C51H51Cl2F3N6O6S2 and a molecular weight of 1036.04 g/mol. Its IUPAC name is N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide
PubChem CID157420618
Molecular FormulaC51H51Cl2F3N6O6S2
Molecular Weight1036.04 g/mol
Exact Mass1034.26
IUPAC NameN-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCC(NCCc3cccc(C(F)(F)F)c3)CC2)c1)c1ccc(Cl)cc1.O=C(Nc1cccc(S(=O)(=O)N2CCC(Nc3ccccc3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27ClF3N3O3S.C24H24ClN3O3S/c28-22-9-7-20(8-10-22)26(35)33-24-5-2-6-25(18-24)38(36,37)34-15-12-23(13-16-34)32-14-11-19-3-1-4-21(17-19)27(29,30)31;25-19-11-9-18(10-12-19)24(29)27-22-7-4-8-23(17-22)32(30,31)28-15-13-21(14-16-28)26-20-5-2-1-3-6-20/h1-10,17-18,23,32H,11-16H2,(H,33,35);1-12,17,21,26H,13-16H2,(H,27,29)
InChIKeyBPIYOQICPIBETG-UHFFFAOYSA-N
XLogP10.45
TPSA157.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.04
LogP ≤ 510.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 141202562
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 43924856
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
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
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
1-cyclohexyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 25069817
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
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CID 7929786

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide (CID 157420618) is N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCC(NCCc3cccc(C(F)(F)F)c3)CC2)c1)c1ccc(Cl)cc1.O=C(Nc1cccc(S(=O)(=O)N2CCC(Nc3ccccc3)CC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is BPIYOQICPIBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF3N3O3S.C24H24ClN3O3S/c28-22-9-7-20(8-10-22)26(35)33-24-5-2-6-25(18-24)38(36,37)34-15-12-23(13-16-34)32-14-11-19-3-1-4-21(17-19)27(29,30)31;25-19-11-9-18(10-12-19)24(29)27-22-7-4-8-23(17-22)32(30,31)28-15-13-21(14-16-28)26-20-5-2-1-3-6-20/h1-10,17-18,23,32H,11-16H2,(H,33,35);1-12,17,21,26H,13-16H2,(H,27,29).
What are the key properties of N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide?
N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 1036.04 g/mol, XLogP of 10.45, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-anilinopiperidin-1-yl)sulfonylphenyl]-4-chlorobenzamide;4-chloro-N-[3-[4-[2-[3-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 157420618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).