(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide

C23H25ClF2N6O4S — CID 126507871

About (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide

(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide (PubChem CID 126507871) has the molecular formula C23H25ClF2N6O4S and a molecular weight of 555.01 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide
• PubChem CID: 126507871
• Molecular Formula: C23H25ClF2N6O4S
• Molecular Weight: 555.01 g/mol
• Exact Mass: 554.13
• IUPAC Name: (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide
• SMILES: C[C@@H]1CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(Cl)c2)CCN1C1COC1
• InChI: InChI=1S/C23H25ClF2N6O4S/c1-15-11-30(7-8-31(15)20-13-35-14-20)37(33,34)32(19-4-2-3-17(24)9-19)12-18-6-5-16(10-27-18)22-28-29-23(36-22)21(25)26/h2-6,9-10,15,20-21H,7-8,11-14H2,1H3/t15-/m1/s1
• InChIKey: XRMNAEKWJRAUJJ-OAHLLOKOSA-N
• XLogP: 3.38
• TPSA: 104.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.01
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide?

The IUPAC name of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide (CID 126507871) is (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide.

What is the SMILES notation for (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide?

The canonical SMILES for (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide is C[C@@H]1CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(Cl)c2)CCN1C1COC1.

What is the InChIKey of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide?

The InChIKey is XRMNAEKWJRAUJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25ClF2N6O4S/c1-15-11-30(7-8-31(15)20-13-35-14-20)37(33,34)32(19-4-2-3-17(24)9-19)12-18-6-5-16(10-27-18)22-28-29-23(36-22)21(25)26/h2-6,9-10,15,20-21H,7-8,11-14H2,1H3/t15-/m1/s1.

What are the key properties of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide?

(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide has a molecular weight of 555.01 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-4-(oxetan-3-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 126507871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).