2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide

C23H22Cl2N2O3S — CID 126132339

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(2)21-10-6-7-11-22(21)26-23(28)15-27(19-13-17(24)12-18(25)14-19)31(29,30)20-8-4-3-5-9-20/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyLBYJRSFAJJFGGD-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.95
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 126132339) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID126132339
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(2)21-10-6-7-11-22(21)26-23(28)15-27(19-13-17(24)12-18(25)14-19)31(29,30)20-8-4-3-5-9-20/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyLBYJRSFAJJFGGD-UHFFFAOYSA-N
XLogP5.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372113
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-phenylphenyl)acetamide
CID 126129468
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 2111548
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126154891
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1316008
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
CID 51344434
N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891686
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897139
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30169816
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide (CID 126132339) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is LBYJRSFAJJFGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-16(2)21-10-6-7-11-22(21)26-23(28)15-27(19-13-17(24)12-18(25)14-19)31(29,30)20-8-4-3-5-9-20/h3-14,16H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 477.41 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 126132339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).