2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

C24H23ClN2O5S — CID 133167536

IUPAC2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H23ClN2O5S/c1-17(18-7-12-22-23(15-18)32-14-13-31-22)26-24(28)16-27(20-10-8-19(25)9-11-20)33(29,30)21-5-3-2-4-6-21/h2-12,15,17H,13-14,16H2,1H3,(H,26,28)
InChIKeyDSLMLSHQBXYKJD-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.18
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (PubChem CID 133167536) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
PubChem CID133167536
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H23ClN2O5S/c1-17(18-7-12-22-23(15-18)32-14-13-31-22)26-24(28)16-27(20-10-8-19(25)9-11-20)33(29,30)21-5-3-2-4-6-21/h2-12,15,17H,13-14,16H2,1H3,(H,26,28)
InChIKeyDSLMLSHQBXYKJD-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24605167
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133165013
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 133164974
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 133164973
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125064530
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92673457
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217942
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2271201
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3458879
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-phenylpropyl)acetamide
CID 133229151
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30252272

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (CID 133167536) is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is CC(NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The InChIKey is DSLMLSHQBXYKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-17(18-7-12-22-23(15-18)32-14-13-31-22)26-24(28)16-27(20-10-8-19(25)9-11-20)33(29,30)21-5-3-2-4-6-21/h2-12,15,17H,13-14,16H2,1H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide has a molecular weight of 486.98 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is sourced from PubChem (CID 133167536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).