2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride

C16H13BrCl2N2O4S — CID 50889349

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Cl)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H13BrCl2N2O4S/c1-10(22)20-12-3-5-13(6-4-12)26(24,25)21(9-16(19)23)15-7-2-11(17)8-14(15)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyTZLBNDOAEZHYTN-UHFFFAOYSA-N
MW480.17 g/mol
LogP4.02
Rot. Bonds6

About 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride

2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride (PubChem CID 50889349) has the molecular formula C16H13BrCl2N2O4S and a molecular weight of 480.17 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride
PubChem CID50889349
Molecular FormulaC16H13BrCl2N2O4S
Molecular Weight480.17 g/mol
Exact Mass477.92
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Cl)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H13BrCl2N2O4S/c1-10(22)20-12-3-5-13(6-4-12)26(24,25)21(9-16(19)23)15-7-2-11(17)8-14(15)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyTZLBNDOAEZHYTN-UHFFFAOYSA-N
XLogP4.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.17
LogP ≤ 54.02
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

ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
CID 50893261
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
CID 50889182
N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetic acid
CID 50892250
N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889129
2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
CID 50895753
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride (CID 50889349) is 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Cl)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride?
The InChIKey is TZLBNDOAEZHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O4S/c1-10(22)20-12-3-5-13(6-4-12)26(24,25)21(9-16(19)23)15-7-2-11(17)8-14(15)18/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride?
2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride has a molecular weight of 480.17 g/mol, XLogP of 4.02, 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)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride is sourced from PubChem (CID 50889349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).