N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide

C19H21NO6S — CID 4369

IUPACN-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide
SMILESO=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NO
InChIInChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)
InChIKeyARIRIZBKMKMEBD-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.70
Rot. Bonds6

About N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide

N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide (PubChem CID 4369) has the molecular formula C19H21NO6S and a molecular weight of 391.44 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide
PubChem CID4369
Molecular FormulaC19H21NO6S
Molecular Weight391.44 g/mol
Exact Mass391.11
IUPAC NameN-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide
SMILESO=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NO
InChIInChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)
InChIKeyARIRIZBKMKMEBD-UHFFFAOYSA-N
XLogP2.70
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.70
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-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide?
The IUPAC name of N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide (CID 4369) is N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide is O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NO.
What is the InChIKey of N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide?
The InChIKey is ARIRIZBKMKMEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21).
What are the key properties of N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide?
N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide has a molecular weight of 391.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide is sourced from PubChem (CID 4369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).