2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide

C24H25Cl2F2N5O5S2 — CID 121308289

About 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide

2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 121308289) has the molecular formula C24H25Cl2F2N5O5S2 and a molecular weight of 636.53 g/mol. Its IUPAC name is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 121308289
• Molecular Formula: C24H25Cl2F2N5O5S2
• Molecular Weight: 636.53 g/mol
• Exact Mass: 635.06
• IUPAC Name: 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide
• SMILES: COC1(c2nnc(-c3nc(C(=O)N4CCC(F)(F)CC4)c(-c4ccc(S(=O)(=O)NC(C)C)c(Cl)c4Cl)s3)o2)CC1
• InChI: InChI=1S/C24H25Cl2F2N5O5S2/c1-12(2)32-40(35,36)14-5-4-13(15(25)16(14)26)18-17(21(34)33-10-8-24(27,28)9-11-33)29-20(39-18)19-30-31-22(38-19)23(37-3)6-7-23/h4-5,12,32H,6-11H2,1-3H3
• InChIKey: BERPERKWHCMMEO-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 127.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.53
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

The IUPAC name of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide (CID 121308289) is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

The canonical SMILES for 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide is COC1(c2nnc(-c3nc(C(=O)N4CCC(F)(F)CC4)c(-c4ccc(S(=O)(=O)NC(C)C)c(Cl)c4Cl)s3)o2)CC1.

What is the InChIKey of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

The InChIKey is BERPERKWHCMMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2F2N5O5S2/c1-12(2)32-40(35,36)14-5-4-13(15(25)16(14)26)18-17(21(34)33-10-8-24(27,28)9-11-33)29-20(39-18)19-30-31-22(38-19)23(37-3)6-7-23/h4-5,12,32H,6-11H2,1-3H3.

What are the key properties of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 636.53 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(1-methoxycyclopropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 121308289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).