(2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide

C22H26ClF2N3O6S — CID 10128691

IUPAC(2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide
SMILESO=C(NO)[C@@H](CCCCN1CCOCC1)NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C22H26ClF2N3O6S/c23-15-4-6-16(7-5-15)34-21-18(24)13-17(14-19(21)25)35(31,32)27-20(22(29)26-30)3-1-2-8-28-9-11-33-12-10-28/h4-7,13-14,20,27,30H,1-3,8-12H2,(H,26,29)/t20-/m1/s1
InChIKeyLEFRYGZQVQOBIV-HXUWFJFHSA-N
MW533.98 g/mol
LogP3.07
Rot. Bonds11

About (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide

(2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide (PubChem CID 10128691) has the molecular formula C22H26ClF2N3O6S and a molecular weight of 533.98 g/mol. Its IUPAC name is (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide
PubChem CID10128691
Molecular FormulaC22H26ClF2N3O6S
Molecular Weight533.98 g/mol
Exact Mass533.12
IUPAC Name(2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide
SMILESO=C(NO)[C@@H](CCCCN1CCOCC1)NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C22H26ClF2N3O6S/c23-15-4-6-16(7-5-15)34-21-18(24)13-17(14-19(21)25)35(31,32)27-20(22(29)26-30)3-1-2-8-28-9-11-33-12-10-28/h4-7,13-14,20,27,30H,1-3,8-12H2,(H,26,29)/t20-/m1/s1
InChIKeyLEFRYGZQVQOBIV-HXUWFJFHSA-N
XLogP3.07
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.98
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide?
The IUPAC name of (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide (CID 10128691) is (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide.
What is the SMILES notation for (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide?
The canonical SMILES for (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide is O=C(NO)[C@@H](CCCCN1CCOCC1)NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide?
The InChIKey is LEFRYGZQVQOBIV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26ClF2N3O6S/c23-15-4-6-16(7-5-15)34-21-18(24)13-17(14-19(21)25)35(31,32)27-20(22(29)26-30)3-1-2-8-28-9-11-33-12-10-28/h4-7,13-14,20,27,30H,1-3,8-12H2,(H,26,29)/t20-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide?
(2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide has a molecular weight of 533.98 g/mol, XLogP of 3.07, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxy-6-morpholin-4-ylhexanamide is sourced from PubChem (CID 10128691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).