2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide

C21H18Cl2N2O3S2 — CID 5203198

IUPAC2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S2/c1-29-20-10-6-5-9-18(20)24-21(26)14-25(19-13-15(22)11-12-17(19)23)30(27,28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyPRYFXALKKLYENC-UHFFFAOYSA-N
MW481.43 g/mol
LogP5.55
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 5203198) has the molecular formula C21H18Cl2N2O3S2 and a molecular weight of 481.43 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID5203198
Molecular FormulaC21H18Cl2N2O3S2
Molecular Weight481.43 g/mol
Exact Mass480.01
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S2/c1-29-20-10-6-5-9-18(20)24-21(26)14-25(19-13-15(22)11-12-17(19)23)30(27,28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyPRYFXALKKLYENC-UHFFFAOYSA-N
XLogP5.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126414906
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892948
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892860
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 1335821
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
CID 8705400
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 1295912

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide (CID 5203198) is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is PRYFXALKKLYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S2/c1-29-20-10-6-5-9-18(20)24-21(26)14-25(19-13-15(22)11-12-17(19)23)30(27,28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 481.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 5203198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).