(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide

C24H18ClF4N3O7S — CID 89115248

About (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide

(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide (PubChem CID 89115248) has the molecular formula C24H18ClF4N3O7S and a molecular weight of 603.93 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide
• PubChem CID: 89115248
• Molecular Formula: C24H18ClF4N3O7S
• Molecular Weight: 603.93 g/mol
• Exact Mass: 603.05
• IUPAC Name: (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide
• SMILES: O=C(NO)[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CCN1S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1
• InChI: InChI=1S/C24H18ClF4N3O7S/c25-13-1-3-14(4-2-13)39-22-18(28)9-15(10-19(22)29)40(37,38)32-6-5-31(11-20(32)23(34)30-36)24(35)12-7-16(26)21(33)17(27)8-12/h1-4,7-10,20,33,36H,5-6,11H2,(H,30,34)/t20-/m1/s1
• InChIKey: IZSRTKGRZUVQTM-HXUWFJFHSA-N
• XLogP: 3.41
• TPSA: 136.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.93
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide?

The IUPAC name of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide (CID 89115248) is (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide.

What is the SMILES notation for (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide?

The canonical SMILES for (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide is O=C(NO)[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CCN1S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1.

What is the InChIKey of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide?

The InChIKey is IZSRTKGRZUVQTM-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H18ClF4N3O7S/c25-13-1-3-14(4-2-13)39-22-18(28)9-15(10-19(22)29)40(37,38)32-6-5-31(11-20(32)23(34)30-36)24(35)12-7-16(26)21(33)17(27)8-12/h1-4,7-10,20,33,36H,5-6,11H2,(H,30,34)/t20-/m1/s1.

What are the key properties of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide?

(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide has a molecular weight of 603.93 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide is sourced from PubChem (CID 89115248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).