2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide

C22H22N2O6S — CID 21310775

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OC)cccc2C(=O)NO)cc1
InChIInChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
InChIKeyNRADMZCIASMSFG-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.22
Rot. Bonds8

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide (PubChem CID 21310775) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide
PubChem CID21310775
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OC)cccc2C(=O)NO)cc1
InChIInChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
InChIKeyNRADMZCIASMSFG-UHFFFAOYSA-N
XLogP3.22
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.22
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

1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 17866675
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-hydroxycarbamoylmethoxy-benzamide
CID 44316333
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-chloro-N-hydroxy-benzamide
CID 9846437
N-[4-[[3-(hydroxyamino)-3-oxopropyl]-[2-(4-methoxyphenyl)ethyl]sulfamoyl]phenyl]benzamide
CID 9870477
N-Hydroxy-2-{(4-methoxy-benzenesulfonyl)-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-amino}-3-methyl-benzamide
CID 15551877
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-benzamide
CID 15859211
N-Hydroxy-2-{(4-methoxy-benzenesulfonyl)-[4-(4-methyl-piperazin-1-yl)-benzyl]-amino}-3-methyl-benzamide
CID 17866459
2-[(4-Diethylamino-but-2-ynyl)-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide
CID 21310751
2-[(4-Dimethylaminomethyl-benzyl)-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide
CID 21310753

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide (CID 21310775) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OC)cccc2C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide?
The InChIKey is NRADMZCIASMSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide has a molecular weight of 442.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 21310775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).