2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride

C14H10Br2ClNO3S — CID 50890911

IUPAC2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
SMILESO=C(Cl)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2ClNO3S/c15-10-4-6-13(7-5-10)22(20,21)18(9-14(17)19)12-3-1-2-11(16)8-12/h1-8H,9H2
InChIKeyVUFWYANGVMDEIS-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.17
Rot. Bonds5

About 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride

2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride (PubChem CID 50890911) has the molecular formula C14H10Br2ClNO3S and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
PubChem CID50890911
Molecular FormulaC14H10Br2ClNO3S
Molecular Weight467.57 g/mol
Exact Mass464.84
IUPAC Name2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
SMILESO=C(Cl)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2ClNO3S/c15-10-4-6-13(7-5-10)22(20,21)18(9-14(17)19)12-3-1-2-11(16)8-12/h1-8H,9H2
InChIKeyVUFWYANGVMDEIS-UHFFFAOYSA-N
XLogP4.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 7308169
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
CID 43891649
2-(4-bromo-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50890813
2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50891265
methyl 2-(3-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890869
N-(4-bromophenyl)-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034977
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
CID 50893250
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
CID 43891612
propan-2-yl 2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 50890983

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride?
The IUPAC name of 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride (CID 50890911) is 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride.
What is the SMILES notation for 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride?
The canonical SMILES for 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride is O=C(Cl)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride?
The InChIKey is VUFWYANGVMDEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO3S/c15-10-4-6-13(7-5-10)22(20,21)18(9-14(17)19)12-3-1-2-11(16)8-12/h1-8H,9H2.
What are the key properties of 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride?
2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride has a molecular weight of 467.57 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride is sourced from PubChem (CID 50890911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).