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

C22H26ClF2N3O6S — CID 87293460

IUPAC(2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide
SMILESN[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=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)28(30)22(29)20(26)3-1-2-8-27-9-11-33-12-10-27/h4-7,13-14,20,30H,1-3,8-12,26H2/t20-/m1/s1
InChIKeyOEGGVTPNQIEVQR-HXUWFJFHSA-N
MW533.98 g/mol
LogP3.15
Rot. Bonds10

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

(2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide (PubChem CID 87293460) has the molecular formula C22H26ClF2N3O6S and a molecular weight of 533.98 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide
PubChem CID87293460
Molecular FormulaC22H26ClF2N3O6S
Molecular Weight533.98 g/mol
Exact Mass533.12
IUPAC Name(2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide
SMILESN[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=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)28(30)22(29)20(26)3-1-2-8-27-9-11-33-12-10-27/h4-7,13-14,20,30H,1-3,8-12,26H2/t20-/m1/s1
InChIKeyOEGGVTPNQIEVQR-HXUWFJFHSA-N
XLogP3.15
TPSA122.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.98
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349
(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-(2-morpholin-4-ylacetyl)piperazine-2-carboxamide;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-(2-piperidin-1-ylacetyl)piperazine-2-carboxamide;2-piperidin-1-ylethyl (3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate
CID 157404828
N-[2-[(2-amino-2-oxoethyl)-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]ethyl-methylsulfamoyl]-4-methylpiperazine-1-carboxamide
CID 66656863
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 22275752
(2S)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-(2-methoxyethyl)piperazine-2-carboxamide
CID 10074901
ethyl 8-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]-3,8-diazabicyclo[3.2.1]octane-1-carboxylate
CID 176600511
(2R)-2-amino-5-(diaminomethylideneamino)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-N-hydroxypentanamide
CID 87293461
2-[(4-chlorophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3258834
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
CID 1099236
2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide
CID 123618506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide?
The IUPAC name of (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide (CID 87293460) is (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide is N[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide?
The InChIKey is OEGGVTPNQIEVQR-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)28(30)22(29)20(26)3-1-2-8-27-9-11-33-12-10-27/h4-7,13-14,20,30H,1-3,8-12,26H2/t20-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide?
(2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide has a molecular weight of 533.98 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide is sourced from PubChem (CID 87293460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).