(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide

C19H21F2N3O4S — CID 18727181

IUPAC(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide
SMILESO=C(NO)[C@H](NS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O4S/c20-16-5-1-13(2-6-16)14-9-11-24(12-10-14)29(27,28)23-18(19(25)22-26)15-3-7-17(21)8-4-15/h1-8,14,18,23,26H,9-12H2,(H,22,25)/t18-/m1/s1
InChIKeyMTUGUUZQCNGNFX-GOSISDBHSA-N
MW425.46 g/mol
LogP2.23
Rot. Bonds6

About (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide

(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide (PubChem CID 18727181) has the molecular formula C19H21F2N3O4S and a molecular weight of 425.46 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide
PubChem CID18727181
Molecular FormulaC19H21F2N3O4S
Molecular Weight425.46 g/mol
Exact Mass425.12
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide
SMILESO=C(NO)[C@H](NS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O4S/c20-16-5-1-13(2-6-16)14-9-11-24(12-10-14)29(27,28)23-18(19(25)22-26)15-3-7-17(21)8-4-15/h1-8,14,18,23,26H,9-12H2,(H,22,25)/t18-/m1/s1
InChIKeyMTUGUUZQCNGNFX-GOSISDBHSA-N
XLogP2.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide (CID 18727181) is (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide is O=C(NO)[C@H](NS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide?
The InChIKey is MTUGUUZQCNGNFX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F2N3O4S/c20-16-5-1-13(2-6-16)14-9-11-24(12-10-14)29(27,28)23-18(19(25)22-26)15-3-7-17(21)8-4-15/h1-8,14,18,23,26H,9-12H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide?
(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide has a molecular weight of 425.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 18727181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).