2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C22H20Cl2F5N5O6S3 — CID 121304023

About 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 121304023) has the molecular formula C22H20Cl2F5N5O6S3 and a molecular weight of 712.53 g/mol. Its IUPAC name is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• PubChem CID: 121304023
• Molecular Formula: C22H20Cl2F5N5O6S3
• Molecular Weight: 712.53 g/mol
• Exact Mass: 710.99
• IUPAC Name: 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CS(C)(=O)=O)o3)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl)C(F)(F)F
• InChI: InChI=1S/C22H20Cl2F5N5O6S3/c1-10(22(27,28)29)33-43(38,39)12-4-3-11(14(23)15(12)24)17-16(20(35)34-7-5-21(25,26)6-8-34)30-19(41-17)18-32-31-13(40-18)9-42(2,36)37/h3-4,10,33H,5-9H2,1-2H3/t10-/m0/s1
• InChIKey: GTKFBRTXEHUGRJ-JTQLQIEISA-N
• XLogP: 4.81
• TPSA: 152.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	712.53
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The IUPAC name of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 121304023) is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

What is the SMILES notation for 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The canonical SMILES for 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3nnc(CS(C)(=O)=O)o3)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl)C(F)(F)F.

What is the InChIKey of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The InChIKey is GTKFBRTXEHUGRJ-JTQLQIEISA-N. The full InChI is InChI=1S/C22H20Cl2F5N5O6S3/c1-10(22(27,28)29)33-43(38,39)12-4-3-11(14(23)15(12)24)17-16(20(35)34-7-5-21(25,26)6-8-34)30-19(41-17)18-32-31-13(40-18)9-42(2,36)37/h3-4,10,33H,5-9H2,1-2H3/t10-/m0/s1.

What are the key properties of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 712.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121304023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).