3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

C17H17Cl2FN2O4S — CID 92695169

IUPAC3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(CCC(=O)NO)Cc2c(Cl)cccc2Cl)ccc1F
InChIInChI=1S/C17H17Cl2FN2O4S/c1-11-9-12(5-6-16(11)20)27(25,26)22(8-7-17(23)21-24)10-13-14(18)3-2-4-15(13)19/h2-6,9,24H,7-8,10H2,1H3,(H,21,23)
InChIKeyRTQLXACSSYPQOI-UHFFFAOYSA-N
MW435.30 g/mol
LogP3.53
Rot. Bonds7

About 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 92695169) has the molecular formula C17H17Cl2FN2O4S and a molecular weight of 435.30 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID92695169
Molecular FormulaC17H17Cl2FN2O4S
Molecular Weight435.30 g/mol
Exact Mass434.03
IUPAC Name3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(CCC(=O)NO)Cc2c(Cl)cccc2Cl)ccc1F
InChIInChI=1S/C17H17Cl2FN2O4S/c1-11-9-12(5-6-16(11)20)27(25,26)22(8-7-17(23)21-24)10-13-14(18)3-2-4-15(13)19/h2-6,9,24H,7-8,10H2,1H3,(H,21,23)
InChIKeyRTQLXACSSYPQOI-UHFFFAOYSA-N
XLogP3.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
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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Related Compounds

ethyl 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]propanoate
CID 5090813
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide
CID 4035991
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864265
N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070095
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 126061916
N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012010
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 43871984
N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
CID 10526332
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 23877209
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126332352

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 92695169) is 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is Cc1cc(S(=O)(=O)N(CCC(=O)NO)Cc2c(Cl)cccc2Cl)ccc1F.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is RTQLXACSSYPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O4S/c1-11-9-12(5-6-16(11)20)27(25,26)22(8-7-17(23)21-24)10-13-14(18)3-2-4-15(13)19/h2-6,9,24H,7-8,10H2,1H3,(H,21,23).
What are the key properties of 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 435.30 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 92695169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).