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

C22H19F3N2O5S — CID 21310779

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cccc2C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O5S/c1-32-16-10-12-17(13-11-16)33(30,31)27(14-15-6-3-2-4-7-15)20-18(21(28)26-29)8-5-9-19(20)22(23,24)25/h2-13,29H,14H2,1H3,(H,26,28)
InChIKeyXRIJPQABKMSHIA-UHFFFAOYSA-N
MW480.46 g/mol
LogP4.23
Rot. Bonds7

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

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide (PubChem CID 21310779) has the molecular formula C22H19F3N2O5S and a molecular weight of 480.46 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide
PubChem CID21310779
Molecular FormulaC22H19F3N2O5S
Molecular Weight480.46 g/mol
Exact Mass480.10
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cccc2C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O5S/c1-32-16-10-12-17(13-11-16)33(30,31)27(14-15-6-3-2-4-7-15)20-18(21(28)26-29)8-5-9-19(20)22(23,24)25/h2-13,29H,14H2,1H3,(H,26,28)
InChIKeyXRIJPQABKMSHIA-UHFFFAOYSA-N
XLogP4.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 54.23
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-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide (CID 21310779) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide?
The InChIKey is XRIJPQABKMSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O5S/c1-32-16-10-12-17(13-11-16)33(30,31)27(14-15-6-3-2-4-7-15)20-18(21(28)26-29)8-5-9-19(20)22(23,24)25/h2-13,29H,14H2,1H3,(H,26,28).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(trifluoromethyl)benzamide has a molecular weight of 480.46 g/mol, XLogP of 4.23, 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-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 21310779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).