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

C23H25Cl2F2N5O5S2 — CID 121308252

About 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 121308252) has the molecular formula C23H25Cl2F2N5O5S2 and a molecular weight of 624.52 g/mol. Its IUPAC name is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 121308252
• Molecular Formula: C23H25Cl2F2N5O5S2
• Molecular Weight: 624.52 g/mol
• Exact Mass: 623.06
• IUPAC Name: 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl
• InChI: InChI=1S/C23H25Cl2F2N5O5S2/c1-11(2)31-39(35,36)13-6-5-12(14(24)15(13)25)17-16(20(33)32-9-7-23(26,27)8-10-32)28-19(38-17)18-29-30-21(37-18)22(3,4)34/h5-6,11,31,34H,7-10H2,1-4H3
• InChIKey: DLPBVHJWBXLJMB-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 138.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.52
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
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-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide (CID 121308252) is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl.

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

The InChIKey is DLPBVHJWBXLJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2F2N5O5S2/c1-11(2)31-39(35,36)13-6-5-12(14(24)15(13)25)17-16(20(33)32-9-7-23(26,27)8-10-32)28-19(38-17)18-29-30-21(37-18)22(3,4)34/h5-6,11,31,34H,7-10H2,1-4H3.

What are the key properties of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 624.52 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 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-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 121308252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).