2-acetamido-5-chlorobenzenesulfinic acid

C8H8ClNO3S — CID 11356734

IUPAC2-acetamido-5-chlorobenzenesulfinic acid
SMILESCC(=O)Nc1ccc(Cl)cc1S(=O)O
InChIInChI=1S/C8H8ClNO3S/c1-5(11)10-7-3-2-6(9)4-8(7)14(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeySARUGPTVCUGVPS-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.88
Rot. Bonds2

About 2-acetamido-5-chlorobenzenesulfinic acid

2-acetamido-5-chlorobenzenesulfinic acid (PubChem CID 11356734) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 2-acetamido-5-chlorobenzenesulfinic acid.

Molecular Properties

Compound Name2-acetamido-5-chlorobenzenesulfinic acid
PubChem CID11356734
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name2-acetamido-5-chlorobenzenesulfinic acid
SMILESCC(=O)Nc1ccc(Cl)cc1S(=O)O
InChIInChI=1S/C8H8ClNO3S/c1-5(11)10-7-3-2-6(9)4-8(7)14(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeySARUGPTVCUGVPS-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid
CID 171502265
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
2-acetamido-5-chloro-N-hydroxybenzeneamine oxide
CID 163181848
N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567
N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
CID 10868327
N-(5-chloro-2-methylsulfonylphenyl)acetamide
CID 67747671
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid
CID 165449360
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
CID 119310318
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-chlorobenzenesulfinic acid?
The IUPAC name of 2-acetamido-5-chlorobenzenesulfinic acid (CID 11356734) is 2-acetamido-5-chlorobenzenesulfinic acid.
What is the SMILES notation for 2-acetamido-5-chlorobenzenesulfinic acid?
The canonical SMILES for 2-acetamido-5-chlorobenzenesulfinic acid is CC(=O)Nc1ccc(Cl)cc1S(=O)O.
What is the InChIKey of 2-acetamido-5-chlorobenzenesulfinic acid?
The InChIKey is SARUGPTVCUGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-5(11)10-7-3-2-6(9)4-8(7)14(12)13/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-acetamido-5-chlorobenzenesulfinic acid?
2-acetamido-5-chlorobenzenesulfinic acid has a molecular weight of 233.68 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-chlorobenzenesulfinic acid is sourced from PubChem (CID 11356734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).