cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide

C58H58Cl4N8O11S4 — CID 157250832

About cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide

cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide (PubChem CID 157250832) has the molecular formula C58H58Cl4N8O11S4 and a molecular weight of 1313.23 g/mol. Its IUPAC name is cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide
• PubChem CID: 157250832
• Molecular Formula: C58H58Cl4N8O11S4
• Molecular Weight: 1313.23 g/mol
• Exact Mass: 1310.19
• IUPAC Name: cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide
• SMILES: NS(=O)(=O)C1CC1.O=C(NS(=O)(=O)C1CC1)c1ccc2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1.O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1
• InChI: InChI=1S/C29H28Cl2N4O5S2.C26H23Cl2N3O4S.C3H7NO2S/c30-21-2-1-3-22(31)25(21)26-20(27(40-33-26)16-4-5-16)15-39-18-10-12-35(13-11-18)29-32-23-9-6-17(14-24(23)41-29)28(36)34-42(37,38)19-7-8-19;27-18-2-1-3-19(28)22(18)23-17(24(35-30-23)14-4-5-14)13-34-16-8-10-31(11-9-16)26-29-20-7-6-15(25(32)33)12-21(20)36-26;4-7(5,6)3-1-2-3/h1-3,6,9,14,16,18-19H,4-5,7-8,10-13,15H2,(H,34,36);1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,32,33);3H,1-2H2,(H2,4,5,6)
• InChIKey: AWHZTLZGKQLMNS-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 263.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1313.23
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide?

The IUPAC name of cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide (CID 157250832) is cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide is NS(=O)(=O)C1CC1.O=C(NS(=O)(=O)C1CC1)c1ccc2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1.O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1.

What is the InChIKey of cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide?

The InChIKey is AWHZTLZGKQLMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O5S2.C26H23Cl2N3O4S.C3H7NO2S/c30-21-2-1-3-22(31)25(21)26-20(27(40-33-26)16-4-5-16)15-39-18-10-12-35(13-11-18)29-32-23-9-6-17(14-24(23)41-29)28(36)34-42(37,38)19-7-8-19;27-18-2-1-3-19(28)22(18)23-17(24(35-30-23)14-4-5-14)13-34-16-8-10-31(11-9-16)26-29-20-7-6-15(25(32)33)12-21(20)36-26;4-7(5,6)3-1-2-3/h1-3,6,9,14,16,18-19H,4-5,7-8,10-13,15H2,(H,34,36);1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,32,33);3H,1-2H2,(H2,4,5,6).

What are the key properties of cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide?

cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 1313.23 g/mol, XLogP of 13.00, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanesulfonamide;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid;2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-N-cyclopropylsulfonyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 157250832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).