2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide

C22H22N2O5S — CID 21310934

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2C(=O)NO)cc1
InChIInChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
InChIKeyWTWNYQALQSSSPL-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.52
Rot. Bonds7

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide (PubChem CID 21310934) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide
PubChem CID21310934
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2C(=O)NO)cc1
InChIInChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
InChIKeyWTWNYQALQSSSPL-UHFFFAOYSA-N
XLogP3.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide (CID 21310934) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide?
The InChIKey is WTWNYQALQSSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide has a molecular weight of 426.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-6-methylbenzamide is sourced from PubChem (CID 21310934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).