2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide

C20H15Cl2IN2O3S — CID 126267956

IUPAC2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2IN2O3S/c21-18-11-8-15(12-19(18)22)24-20(26)13-25(16-9-6-14(23)7-10-16)29(27,28)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)
InChIKeyBGVKQSUVDQJEFT-UHFFFAOYSA-N
MW561.23 g/mol
LogP5.43
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 126267956) has the molecular formula C20H15Cl2IN2O3S and a molecular weight of 561.23 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID126267956
Molecular FormulaC20H15Cl2IN2O3S
Molecular Weight561.23 g/mol
Exact Mass559.92
IUPAC Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2IN2O3S/c21-18-11-8-15(12-19(18)22)24-20(26)13-25(16-9-6-14(23)7-10-16)29(27,28)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)
InChIKeyBGVKQSUVDQJEFT-UHFFFAOYSA-N
XLogP5.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.23
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497
4-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzoic acid
CID 1267410
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30170238
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
CID 1475349
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
CID 126134483
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(3,4-dichlorophenyl)acetamide
CID 21371863
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126034145
methyl 5-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]amino]-2-chlorobenzoate
CID 126269807
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
CID 43891612
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126177951

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide (CID 126267956) is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide is O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is BGVKQSUVDQJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2IN2O3S/c21-18-11-8-15(12-19(18)22)24-20(26)13-25(16-9-6-14(23)7-10-16)29(27,28)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide?
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 561.23 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 126267956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).