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

C80H86Cl4F3N23O12S4 — CID 91462235

About 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

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 (PubChem CID 91462235) has the molecular formula C80H86Cl4F3N23O12S4 and a molecular weight of 1888.79 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 91462235
• Molecular Formula: C80H86Cl4F3N23O12S4
• Molecular Weight: 1888.79 g/mol
• Exact Mass: 1885.44
• IUPAC Name: 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
• SMILES: CCn1cc(S(=O)(=O)N2CC(CNC(=O)c3ccc(C)cc3Cl)(CC3CC3)C2)nn1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)nn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)n3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ncn(C)n3)C2)c(Cl)c1
• InChI: InChI=1S/3C20H20ClFN6O3S.C20H26ClN5O3S/c1-13-5-6-14(15(21)8-13)18(29)24-9-20(17-16(22)4-3-7-23-17)10-28(11-20)32(30,31)19-25-12-27(2)26-19;1-13-5-6-14(15(21)8-13)19(29)24-10-20(18-16(22)4-3-7-23-18)11-28(12-20)32(30,31)17-9-27(2)26-25-17;1-13-5-6-14(15(21)8-13)19(29)24-10-20(18-16(22)4-3-7-23-18)11-28(12-20)32(30,31)17-9-25-27(2)26-17;1-3-25-10-18(23-24-25)30(28,29)26-12-20(13-26,9-15-5-6-15)11-22-19(27)16-7-4-14(2)8-17(16)21/h3-8,12H,9-11H2,1-2H3,(H,24,29);2*3-9H,10-12H2,1-2H3,(H,24,29);4,7-8,10,15H,3,5-6,9,11-13H2,1-2H3,(H,22,27)
• InChIKey: IIFDIHUPTIRZOF-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 427.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1888.79
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCn1cc(S(=O)(=O)N2CC(CNC(=O)c3ccc(C)cc3Cl)(CC3CC3)C2)nn1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cn(C)nn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3cnn(C)n3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(c3ncccc3F)CN(S(=O)(=O)c3ncn(C)n3)C2)c(Cl)c1.

What is the InChIKey of 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?

The InChIKey is IIFDIHUPTIRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H20ClFN6O3S.C20H26ClN5O3S/c1-13-5-6-14(15(21)8-13)18(29)24-9-20(17-16(22)4-3-7-23-17)10-28(11-20)32(30,31)19-25-12-27(2)26-19;1-13-5-6-14(15(21)8-13)19(29)24-10-20(18-16(22)4-3-7-23-18)11-28(12-20)32(30,31)17-9-27(2)26-25-17;1-13-5-6-14(15(21)8-13)19(29)24-10-20(18-16(22)4-3-7-23-18)11-28(12-20)32(30,31)17-9-25-27(2)26-17;1-3-25-10-18(23-24-25)30(28,29)26-12-20(13-26,9-15-5-6-15)11-22-19(27)16-7-4-14(2)8-17(16)21/h3-8,12H,9-11H2,1-2H3,(H,24,29);2*3-9H,10-12H2,1-2H3,(H,24,29);4,7-8,10,15H,3,5-6,9,11-13H2,1-2H3,(H,22,27).

What are the key properties of 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?

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 has a molecular weight of 1888.79 g/mol, XLogP of 7.53, 26 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 91462235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).