4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide

C25H23N3O5S — CID 10205886

IUPAC4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cnc3c(C)cccc23)cc1
InChIInChI=1S/C25H23N3O5S/c1-17-7-6-10-21-23(17)26-15-22(25(29)27-30)24(21)28(16-18-8-4-3-5-9-18)34(31,32)20-13-11-19(33-2)12-14-20/h3-15,30H,16H2,1-2H3,(H,27,29)
InChIKeyJFQFSHSHMHJPSW-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.07
Rot. Bonds7

About 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide

4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide (PubChem CID 10205886) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide
PubChem CID10205886
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cnc3c(C)cccc23)cc1
InChIInChI=1S/C25H23N3O5S/c1-17-7-6-10-21-23(17)26-15-22(25(29)27-30)24(21)28(16-18-8-4-3-5-9-18)34(31,32)20-13-11-19(33-2)12-14-20/h3-15,30H,16H2,1-2H3,(H,27,29)
InChIKeyJFQFSHSHMHJPSW-UHFFFAOYSA-N
XLogP4.07
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Gsk-256066
CID 9827968
4-[(3-Methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
CID 11280182
Way-151693
CID 4368
4-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-8-(trifluoromethyl)quinoline-3-carboxamide
CID 10119294
N-hydroxy-8-methoxy-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide
CID 10141426
8-bromo-N-hydroxy-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide
CID 10165868
4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-7-trifluoromethyl-quinoline-3-carboxylic acid hydroxyamide
CID 10230286
4-(3-Methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
6-(Benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11293791
6-(Dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 11304132
4-(4-Fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
4-(3-Methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide
CID 11397103

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide?
The IUPAC name of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide (CID 10205886) is 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide?
The canonical SMILES for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cnc3c(C)cccc23)cc1.
What is the InChIKey of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide?
The InChIKey is JFQFSHSHMHJPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-17-7-6-10-21-23(17)26-15-22(25(29)27-30)24(21)28(16-18-8-4-3-5-9-18)34(31,32)20-13-11-19(33-2)12-14-20/h3-15,30H,16H2,1-2H3,(H,27,29).
What are the key properties of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide?
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-8-methylquinoline-3-carboxamide is sourced from PubChem (CID 10205886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).