5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide

C26H29ClFN5O6S — CID 138520605

About 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide

5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide (PubChem CID 138520605) has the molecular formula C26H29ClFN5O6S and a molecular weight of 594.07 g/mol. Its IUPAC name is 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide
• PubChem CID: 138520605
• Molecular Formula: C26H29ClFN5O6S
• Molecular Weight: 594.07 g/mol
• Exact Mass: 593.15
• IUPAC Name: 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide
• SMILES: Cc1ccc(F)c(C(C)C(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC4(CC3)COC4)n2)c2n[nH]c(=O)o2)c1C
• InChI: InChI=1S/C26H29ClFN5O6S/c1-14-4-6-18(28)20(15(14)2)16(3)21(23-30-31-25(35)39-23)32-40(36,37)19-7-5-17(27)22(29-19)24(34)33-10-8-26(9-11-33)12-38-13-26/h4-7,16,21,32H,8-13H2,1-3H3,(H,31,35)
• InChIKey: WIXMVAVOJYRHDC-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 147.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.07
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide?

The IUPAC name of 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide (CID 138520605) is 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide.

What is the SMILES notation for 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide?

The canonical SMILES for 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide is Cc1ccc(F)c(C(C)C(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC4(CC3)COC4)n2)c2n[nH]c(=O)o2)c1C.

What is the InChIKey of 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide?

The InChIKey is WIXMVAVOJYRHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN5O6S/c1-14-4-6-18(28)20(15(14)2)16(3)21(23-30-31-25(35)39-23)32-40(36,37)19-7-5-17(27)22(29-19)24(34)33-10-8-26(9-11-33)12-38-13-26/h4-7,16,21,32H,8-13H2,1-3H3,(H,31,35).

What are the key properties of 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide?

5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide has a molecular weight of 594.07 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-6-(2-oxa-7-azaspiro[3.5]nonane-7-carbonyl)pyridine-2-sulfonamide is sourced from PubChem (CID 138520605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).