4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide

C23H17F6N3O5S — CID 155544728

IUPAC4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide
SMILESCN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)
InChIKeyCNONRNROPLOWNM-UHFFFAOYSA-N
MW561.46 g/mol
LogP3.49
Rot. Bonds8

About 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide

4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide (PubChem CID 155544728) has the molecular formula C23H17F6N3O5S and a molecular weight of 561.46 g/mol. Its IUPAC name is 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide
PubChem CID155544728
Molecular FormulaC23H17F6N3O5S
Molecular Weight561.46 g/mol
Exact Mass561.08
IUPAC Name4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide
SMILESCN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)
InChIKeyCNONRNROPLOWNM-UHFFFAOYSA-N
XLogP3.49
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
CID 100792620
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-N-methylacetamide
CID 100791896
4-[(4-tert-butylphenyl)methyl-[2-[methylsulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]amino]-N-hydroxybenzamide
CID 155512997
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100796896
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100792531
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794075
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidobenzamide
CID 20967378
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 705727
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4822610

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide (CID 155544728) is 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide is CN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide?
The InChIKey is CNONRNROPLOWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34).
What are the key properties of 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide?
4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide has a molecular weight of 561.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide is sourced from PubChem (CID 155544728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).