2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide

C21H17Cl3N2O3S — CID 1335821

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17Cl3N2O3S/c1-14-12-15(22)10-11-18(14)25-20(27)13-26(19-9-5-8-17(23)21(19)24)30(28,29)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyTYLLNEAVPNSAPP-UHFFFAOYSA-N
MW483.80 g/mol
LogP5.79
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 1335821) has the molecular formula C21H17Cl3N2O3S and a molecular weight of 483.80 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID1335821
Molecular FormulaC21H17Cl3N2O3S
Molecular Weight483.80 g/mol
Exact Mass482.00
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17Cl3N2O3S/c1-14-12-15(22)10-11-18(14)25-20(27)13-26(19-9-5-8-17(23)21(19)24)30(28,29)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyTYLLNEAVPNSAPP-UHFFFAOYSA-N
XLogP5.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.80
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43879930
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372817
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343741
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 3996384
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide (CID 1335821) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is TYLLNEAVPNSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O3S/c1-14-12-15(22)10-11-18(14)25-20(27)13-26(19-9-5-8-17(23)21(19)24)30(28,29)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 483.80 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 1335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).