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

C24H23Cl2F5N4O5S2 — CID 121303763

About 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-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-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 121303763) has the molecular formula C24H23Cl2F5N4O5S2 and a molecular weight of 677.50 g/mol. Its IUPAC name is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-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-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• PubChem CID: 121303763
• Molecular Formula: C24H23Cl2F5N4O5S2
• Molecular Weight: 677.50 g/mol
• Exact Mass: 676.04
• IUPAC Name: 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3cc(C(C)(C)O)on3)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl)C(F)(F)F
• InChI: InChI=1S/C24H23Cl2F5N4O5S2/c1-11(24(29,30)31)34-42(38,39)14-5-4-12(16(25)17(14)26)19-18(21(36)35-8-6-23(27,28)7-9-35)32-20(41-19)13-10-15(40-33-13)22(2,3)37/h4-5,10-11,34,37H,6-9H2,1-3H3/t11-/m0/s1
• InChIKey: DKPPSEUXVBCOSN-NSHDSACASA-N
• XLogP: 6.10
• TPSA: 125.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.50
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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)-1,2-oxazol-3-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-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 121303763) is 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-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-(2-hydroxypropan-2-yl)-1,2-oxazol-3-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-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2sc(-c3cc(C(C)(C)O)on3)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-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The InChIKey is DKPPSEUXVBCOSN-NSHDSACASA-N. The full InChI is InChI=1S/C24H23Cl2F5N4O5S2/c1-11(24(29,30)31)34-42(38,39)14-5-4-12(16(25)17(14)26)19-18(21(36)35-8-6-23(27,28)7-9-35)32-20(41-19)13-10-15(40-33-13)22(2,3)37/h4-5,10-11,34,37H,6-9H2,1-3H3/t11-/m0/s1.

What are the key properties of 2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-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-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 677.50 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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)-1,2-oxazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121303763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).