(4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride

C15H17AsClNO8S — CID 174774799

IUPAC(4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride
SMILESCC(=O)Nc1ccc([As](=O)(O)O)c(O)c1.COc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H10AsNO5.C7H7ClO3S/c1-5(11)10-6-2-3-7(8(12)4-6)9(13,14)15;1-11-6-4-2-3-5-7(6)12(8,9)10/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);2-5H,1H3
InChIKeyOWSYSPWJVWXDGQ-UHFFFAOYSA-N
MW481.74 g/mol
LogP0.53
Rot. Bonds4

About (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride

(4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride (PubChem CID 174774799) has the molecular formula C15H17AsClNO8S and a molecular weight of 481.74 g/mol. Its IUPAC name is (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name(4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride
PubChem CID174774799
Molecular FormulaC15H17AsClNO8S
Molecular Weight481.74 g/mol
Exact Mass480.96
IUPAC Name(4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride
SMILESCC(=O)Nc1ccc([As](=O)(O)O)c(O)c1.COc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H10AsNO5.C7H7ClO3S/c1-5(11)10-6-2-3-7(8(12)4-6)9(13,14)15;1-11-6-4-2-3-5-7(6)12(8,9)10/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);2-5H,1H3
InChIKeyOWSYSPWJVWXDGQ-UHFFFAOYSA-N
XLogP0.53
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.74
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride?
The IUPAC name of (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride (CID 174774799) is (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride?
The canonical SMILES for (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride is CC(=O)Nc1ccc([As](=O)(O)O)c(O)c1.COc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride?
The InChIKey is OWSYSPWJVWXDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.C7H7ClO3S/c1-5(11)10-6-2-3-7(8(12)4-6)9(13,14)15;1-11-6-4-2-3-5-7(6)12(8,9)10/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);2-5H,1H3.
What are the key properties of (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride?
(4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride has a molecular weight of 481.74 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-2-hydroxyphenyl)arsonic acid;2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 174774799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).