4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide

C104H91Cl5F3N15O15S4 — CID 159817720

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc(CO)ccn2)c1
InChIInChI=1S/C24H23ClN4O4S.C21H20ClN3O3S.C20H15ClF3N3O2.C20H17ClN2O3S.C19H16ClN3O3S/c1-17(30)28-12-14-29(15-13-28)34(32,33)20-8-5-18(6-9-20)24(31)27-19-7-10-22(25)21(16-19)23-4-2-3-11-26-23;1-14(2)29(27,28)25-16-8-6-15(7-9-16)21(26)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20;1-11-14(3-5-18(26-11)20(22,23)24)19(29)27-13-2-4-16(21)15(9-13)17-8-12(10-28)6-7-25-17;1-27(25,26)13-14-5-7-15(8-6-14)20(24)23-16-9-10-18(21)17(12-16)19-4-2-3-11-22-19;1-27(25,26)23-14-7-5-13(6-8-14)19(24)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18/h2-11,16H,12-15H2,1H3,(H,27,31);3-14,25H,1-2H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29);2-12H,13H2,1H3,(H,23,24);2-12,23H,1H3,(H,22,24)
InChIKeyNLVFGKRUEXLOKP-UHFFFAOYSA-N
MW2153.49 g/mol
LogP21.41
Rot. Bonds25

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 159817720) has the molecular formula C104H91Cl5F3N15O15S4 and a molecular weight of 2153.49 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID159817720
Molecular FormulaC104H91Cl5F3N15O15S4
Molecular Weight2153.49 g/mol
Exact Mass2149.41
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc(CO)ccn2)c1
InChIInChI=1S/C24H23ClN4O4S.C21H20ClN3O3S.C20H15ClF3N3O2.C20H17ClN2O3S.C19H16ClN3O3S/c1-17(30)28-12-14-29(15-13-28)34(32,33)20-8-5-18(6-9-20)24(31)27-19-7-10-22(25)21(16-19)23-4-2-3-11-26-23;1-14(2)29(27,28)25-16-8-6-15(7-9-16)21(26)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20;1-11-14(3-5-18(26-11)20(22,23)24)19(29)27-13-2-4-16(21)15(9-13)17-8-12(10-28)6-7-25-17;1-27(25,26)13-14-5-7-15(8-6-14)20(24)23-16-9-10-18(21)17(12-16)19-4-2-3-11-22-19;1-27(25,26)23-14-7-5-13(6-8-14)19(24)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18/h2-11,16H,12-15H2,1H3,(H,27,31);3-14,25H,1-2H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29);2-12H,13H2,1H3,(H,23,24);2-12,23H,1H3,(H,22,24)
InChIKeyNLVFGKRUEXLOKP-UHFFFAOYSA-N
XLogP21.41
TPSA427.24 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.49
LogP ≤ 521.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide (CID 159817720) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc(CO)ccn2)c1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is NLVFGKRUEXLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4S.C21H20ClN3O3S.C20H15ClF3N3O2.C20H17ClN2O3S.C19H16ClN3O3S/c1-17(30)28-12-14-29(15-13-28)34(32,33)20-8-5-18(6-9-20)24(31)27-19-7-10-22(25)21(16-19)23-4-2-3-11-26-23;1-14(2)29(27,28)25-16-8-6-15(7-9-16)21(26)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20;1-11-14(3-5-18(26-11)20(22,23)24)19(29)27-13-2-4-16(21)15(9-13)17-8-12(10-28)6-7-25-17;1-27(25,26)13-14-5-7-15(8-6-14)20(24)23-16-9-10-18(21)17(12-16)19-4-2-3-11-22-19;1-27(25,26)23-14-7-5-13(6-8-14)19(24)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18/h2-11,16H,12-15H2,1H3,(H,27,31);3-14,25H,1-2H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29);2-12H,13H2,1H3,(H,23,24);2-12,23H,1H3,(H,22,24).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 2153.49 g/mol, XLogP of 21.41, 25 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 159817720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).