2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide

C21H17Cl3N2O3S — CID 51345003

IUPAC2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N2O3S/c22-16-8-6-15(7-9-16)13-25-21(27)14-26(17-10-11-19(23)20(24)12-17)30(28,29)18-4-2-1-3-5-18/h1-12H,13-14H2,(H,25,27)
InChIKeyBQEDPPQMYWBZBA-UHFFFAOYSA-N
MW483.80 g/mol
LogP5.16
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 51345003) has the molecular formula C21H17Cl3N2O3S and a molecular weight of 483.80 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID51345003
Molecular FormulaC21H17Cl3N2O3S
Molecular Weight483.80 g/mol
Exact Mass482.00
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N2O3S/c22-16-8-6-15(7-9-16)13-25-21(27)14-26(17-10-11-19(23)20(24)12-17)30(28,29)18-4-2-1-3-5-18/h1-12H,13-14H2,(H,25,27)
InChIKeyBQEDPPQMYWBZBA-UHFFFAOYSA-N
XLogP5.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.80
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 2873656
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1338503
N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035646
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28577306
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide (CID 51345003) is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide is O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is BQEDPPQMYWBZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O3S/c22-16-8-6-15(7-9-16)13-25-21(27)14-26(17-10-11-19(23)20(24)12-17)30(28,29)18-4-2-1-3-5-18/h1-12H,13-14H2,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 483.80 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 51345003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).