2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide

C19H22ClF2N3O7S2 — CID 123618506

IUPAC2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide
SMILESCCN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22ClF2N3O7S2/c1-3-24(33(2,28)29)8-9-25(12-18(26)23-27)34(30,31)15-10-16(21)19(17(22)11-15)32-14-6-4-13(20)5-7-14/h4-7,10-11,27H,3,8-9,12H2,1-2H3,(H,23,26)
InChIKeyQUHKEMWUDLRNDQ-UHFFFAOYSA-N
MW541.98 g/mol
LogP2.19
Rot. Bonds11

About 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide

2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide (PubChem CID 123618506) has the molecular formula C19H22ClF2N3O7S2 and a molecular weight of 541.98 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide
PubChem CID123618506
Molecular FormulaC19H22ClF2N3O7S2
Molecular Weight541.98 g/mol
Exact Mass541.06
IUPAC Name2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide
SMILESCCN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22ClF2N3O7S2/c1-3-24(33(2,28)29)8-9-25(12-18(26)23-27)34(30,31)15-10-16(21)19(17(22)11-15)32-14-6-4-13(20)5-7-14/h4-7,10-11,27H,3,8-9,12H2,1-2H3,(H,23,26)
InChIKeyQUHKEMWUDLRNDQ-UHFFFAOYSA-N
XLogP2.19
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.98
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

2-[2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl-ethylamino]-N-methylacetamide
CID 123280311
2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide
CID 87092196
benzyl N-[2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]-N-propylcarbamate
CID 123657788
2-methoxyethyl N-[2-[(3,5-difluoro-4-phenoxyphenyl)sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]-N-propylcarbamate
CID 123152540
2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfinyl-[2-[ethyl(methyl)amino]ethyl]amino]-N-hydroxyacetamide;N,N-dimethylformamide;ethane
CID 144574222
N-[2-[(2-amino-2-oxoethyl)-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]ethyl-methylsulfamoyl]-4-methylpiperazine-1-carboxamide
CID 66656863
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3894856
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044817

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide (CID 123618506) is 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide is CCN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide?
The InChIKey is QUHKEMWUDLRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2N3O7S2/c1-3-24(33(2,28)29)8-9-25(12-18(26)23-27)34(30,31)15-10-16(21)19(17(22)11-15)32-14-6-4-13(20)5-7-14/h4-7,10-11,27H,3,8-9,12H2,1-2H3,(H,23,26).
What are the key properties of 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide?
2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide has a molecular weight of 541.98 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 123618506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).