2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride

C16H15ClN2O4S — CID 50889182

IUPAC2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Cl)c2ccccc2)cc1
InChIInChI=1S/C16H15ClN2O4S/c1-12(20)18-13-7-9-15(10-8-13)24(22,23)19(11-16(17)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyRMXHOFSMYVVINE-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.61
Rot. Bonds6

About 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride

2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride (PubChem CID 50889182) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
PubChem CID50889182
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Cl)c2ccccc2)cc1
InChIInChI=1S/C16H15ClN2O4S/c1-12(20)18-13-7-9-15(10-8-13)24(22,23)19(11-16(17)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyRMXHOFSMYVVINE-UHFFFAOYSA-N
XLogP2.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
N-[4-(diphenylsulfamoyl)phenyl]acetamide
CID 4296300
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889129
2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride
CID 50889349

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride (CID 50889182) is 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Cl)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride?
The InChIKey is RMXHOFSMYVVINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-12(20)18-13-7-9-15(10-8-13)24(22,23)19(11-16(17)21)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride?
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride has a molecular weight of 366.83 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride is sourced from PubChem (CID 50889182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).