2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide

C65H62Cl4F3N11O9S5 — CID 159786702

IUPAC2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccc(C)s3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnc(C)n3C)C2)c(Cl)c1
InChIInChI=1S/C22H23ClFN5O3S.C22H21ClFN3O3S2.C21H18Cl2FN3O3S2/c1-14-6-7-16(17(23)9-14)21(30)27-11-22(20-18(24)5-4-8-25-20)12-29(13-22)33(31,32)19-10-26-15(2)28(19)3;1-14-5-7-16(17(23)10-14)21(28)26-11-22(20-18(24)4-3-9-25-20)12-27(13-22)32(29,30)19-8-6-15(2)31-19;1-13-4-5-14(15(22)9-13)20(28)26-10-21(19-16(24)3-2-8-25-19)11-27(12-21)32(29,30)18-7-6-17(23)31-18/h4-10H,11-13H2,1-3H3,(H,27,30);3-10H,11-13H2,1-2H3,(H,26,28);2-9H,10-12H2,1H3,(H,26,28)
InChIKeyNIARBKZCOIWXKN-UHFFFAOYSA-N
MW1500.42 g/mol
LogP10.79
Rot. Bonds18

About 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide

2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide (PubChem CID 159786702) has the molecular formula C65H62Cl4F3N11O9S5 and a molecular weight of 1500.42 g/mol. Its IUPAC name is 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
PubChem CID159786702
Molecular FormulaC65H62Cl4F3N11O9S5
Molecular Weight1500.42 g/mol
Exact Mass1497.20
IUPAC Name2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccc(C)s3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnc(C)n3C)C2)c(Cl)c1
InChIInChI=1S/C22H23ClFN5O3S.C22H21ClFN3O3S2.C21H18Cl2FN3O3S2/c1-14-6-7-16(17(23)9-14)21(30)27-11-22(20-18(24)5-4-8-25-20)12-29(13-22)33(31,32)19-10-26-15(2)28(19)3;1-14-5-7-16(17(23)10-14)21(28)26-11-22(20-18(24)4-3-9-25-20)12-27(13-22)32(29,30)19-8-6-15(2)31-19;1-13-4-5-14(15(22)9-13)20(28)26-10-21(19-16(24)3-2-8-25-19)11-27(12-21)32(29,30)18-7-6-17(23)31-18/h4-10H,11-13H2,1-3H3,(H,27,30);3-10H,11-13H2,1-2H3,(H,26,28);2-9H,10-12H2,1H3,(H,26,28)
InChIKeyNIARBKZCOIWXKN-UHFFFAOYSA-N
XLogP10.79
TPSA255.93 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001500.42
LogP ≤ 510.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide with MolForge

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Related Compounds

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
CID 91274236
2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-ethyltriazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-[(1-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methyltriazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2-methyltriazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
CID 91462235
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
2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-[(1-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methylbenzamide;2-chloro-N-[[4-(3-fluoro-2-pyridinyl)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-4-yl]methyl]-4-methylbenzamide
CID 161867126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide (CID 159786702) is 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccc(C)s3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnc(C)n3C)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is NIARBKZCOIWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3S.C22H21ClFN3O3S2.C21H18Cl2FN3O3S2/c1-14-6-7-16(17(23)9-14)21(30)27-11-22(20-18(24)5-4-8-25-20)12-29(13-22)33(31,32)19-10-26-15(2)28(19)3;1-14-5-7-16(17(23)10-14)21(28)26-11-22(20-18(24)4-3-9-25-20)12-27(13-22)32(29,30)19-8-6-15(2)31-19;1-13-4-5-14(15(22)9-13)20(28)26-10-21(19-16(24)3-2-8-25-19)11-27(12-21)32(29,30)18-7-6-17(23)31-18/h4-10H,11-13H2,1-3H3,(H,27,30);3-10H,11-13H2,1-2H3,(H,26,28);2-9H,10-12H2,1H3,(H,26,28).
What are the key properties of 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 1500.42 g/mol, XLogP of 10.79, 18 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[1-(2,3-dimethylimidazol-4-yl)sulfonyl-3-(3-fluoro-2-pyridinyl)azetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 159786702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).