N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide

C20H19N3O5S — CID 10093147

IUPACN-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide
SMILESCc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H19N3O5S/c1-14-4-3-5-18(20(24)22-25)19(14)23(2)29(26,27)17-8-6-15(7-9-17)28-16-10-12-21-13-11-16/h3-13,25H,1-2H3,(H,22,24)
InChIKeyQYEGLTVXUKXPSD-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.13
Rot. Bonds6

About N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide

N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide (PubChem CID 10093147) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide
PubChem CID10093147
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide
SMILESCc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C20H19N3O5S/c1-14-4-3-5-18(20(24)22-25)19(14)23(2)29(26,27)17-8-6-15(7-9-17)28-16-10-12-21-13-11-16/h3-13,25H,1-2H3,(H,22,24)
InChIKeyQYEGLTVXUKXPSD-UHFFFAOYSA-N
XLogP3.13
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide (CID 10093147) is N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide is Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide?
The InChIKey is QYEGLTVXUKXPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-14-4-3-5-18(20(24)22-25)19(14)23(2)29(26,27)17-8-6-15(7-9-17)28-16-10-12-21-13-11-16/h3-13,25H,1-2H3,(H,22,24).
What are the key properties of N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide?
N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide has a molecular weight of 413.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 10093147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).