2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide

C104H99Cl5F5N23O15S6 — CID 159076329

IUPAC2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cccnc3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccsc3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn[nH]n3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1
InChIInChI=1S/C22H20ClFN4O3S.2C21H21ClFN5O3S.C21H19ClFN3O3S2.C19H18ClFN6O3S/c1-15-6-7-17(18(23)10-15)21(29)27-12-22(20-19(24)5-3-9-26-20)13-28(14-22)32(30,31)16-4-2-8-25-11-16;1-14-5-6-16(17(22)8-14)20(29)25-11-21(19-18(23)4-3-7-24-19)12-28(13-21)32(30,31)15-9-26-27(2)10-15;1-14-5-6-15(16(22)8-14)20(29)25-10-21(19-17(23)4-3-7-24-19)11-28(12-21)32(30,31)18-9-27(2)13-26-18;1-14-4-5-16(17(22)9-14)20(27)25-11-21(19-18(23)3-2-7-24-19)12-26(13-21)31(28,29)15-6-8-30-10-15;1-12-4-5-13(14(20)7-12)18(28)23-9-19(17-15(21)3-2-6-22-17)10-27(11-19)31(29,30)16-8-24-26-25-16/h2-11H,12-14H2,1H3,(H,27,29);3-10H,11-13H2,1-2H3,(H,25,29);3-9,13H,10-12H2,1-2H3,(H,25,29);2-10H,11-13H2,1H3,(H,25,27);2-8H,9-11H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyKAHJBOROMNRIAE-UHFFFAOYSA-N
MW2375.74 g/mol
LogP12.82
Rot. Bonds30

About 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide

2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide (PubChem CID 159076329) has the molecular formula C104H99Cl5F5N23O15S6 and a molecular weight of 2375.74 g/mol. Its IUPAC name is 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide
PubChem CID159076329
Molecular FormulaC104H99Cl5F5N23O15S6
Molecular Weight2375.74 g/mol
Exact Mass2371.44
IUPAC Name2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cccnc3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccsc3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn[nH]n3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1
InChIInChI=1S/C22H20ClFN4O3S.2C21H21ClFN5O3S.C21H19ClFN3O3S2.C19H18ClFN6O3S/c1-15-6-7-17(18(23)10-15)21(29)27-12-22(20-19(24)5-3-9-26-20)13-28(14-22)32(30,31)16-4-2-8-25-11-16;1-14-5-6-16(17(22)8-14)20(29)25-11-21(19-18(23)4-3-7-24-19)12-28(13-21)32(30,31)15-9-26-27(2)10-15;1-14-5-6-15(16(22)8-14)20(29)25-10-21(19-17(23)4-3-7-24-19)11-28(12-21)32(30,31)18-9-27(2)13-26-18;1-14-4-5-16(17(22)9-14)20(27)25-11-21(19-18(23)3-2-7-24-19)12-26(13-21)31(28,29)15-6-8-30-10-15;1-12-4-5-13(14(20)7-12)18(28)23-9-19(17-15(21)3-2-6-22-17)10-27(11-19)31(29,30)16-8-24-26-25-16/h2-11H,12-14H2,1H3,(H,27,29);3-10H,11-13H2,1-2H3,(H,25,29);3-9,13H,10-12H2,1-2H3,(H,25,29);2-10H,11-13H2,1H3,(H,25,27);2-8H,9-11H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyKAHJBOROMNRIAE-UHFFFAOYSA-N
XLogP12.82
TPSA486.95 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.74
LogP ≤ 512.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide (CID 159076329) is 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cccnc3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccsc3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn[nH]n3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is KAHJBOROMNRIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3S.2C21H21ClFN5O3S.C21H19ClFN3O3S2.C19H18ClFN6O3S/c1-15-6-7-17(18(23)10-15)21(29)27-12-22(20-19(24)5-3-9-26-20)13-28(14-22)32(30,31)16-4-2-8-25-11-16;1-14-5-6-16(17(22)8-14)20(29)25-11-21(19-18(23)4-3-7-24-19)12-28(13-21)32(30,31)15-9-26-27(2)10-15;1-14-5-6-15(16(22)8-14)20(29)25-10-21(19-17(23)4-3-7-24-19)11-28(12-21)32(30,31)18-9-27(2)13-26-18;1-14-4-5-16(17(22)9-14)20(27)25-11-21(19-18(23)3-2-7-24-19)12-26(13-21)31(28,29)15-6-8-30-10-15;1-12-4-5-13(14(20)7-12)18(28)23-9-19(17-15(21)3-2-6-22-17)10-27(11-19)31(29,30)16-8-24-26-25-16/h2-11H,12-14H2,1H3,(H,27,29);3-10H,11-13H2,1-2H3,(H,25,29);3-9,13H,10-12H2,1-2H3,(H,25,29);2-10H,11-13H2,1H3,(H,25,27);2-8H,9-11H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide?
2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 2375.74 g/mol, XLogP of 12.82, 30 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 159076329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).