2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide

C18H19ClN2O5S — CID 19260298

IUPAC2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19ClN2O5S/c1-20(2)18(22)12-21(14-5-3-4-13(19)10-14)27(23,24)15-6-7-16-17(11-15)26-9-8-25-16/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyJLHCPKOEWSZPKN-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.39
Rot. Bonds5

About 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide

2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide (PubChem CID 19260298) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide
PubChem CID19260298
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19ClN2O5S/c1-20(2)18(22)12-21(14-5-3-4-13(19)10-14)27(23,24)15-6-7-16-17(11-15)26-9-8-25-16/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyJLHCPKOEWSZPKN-UHFFFAOYSA-N
XLogP2.39
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260233
N-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260229
2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
CID 19259341
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260215
N-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30269535
N-[(4-chlorophenyl)methyl]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-methylacetamide
CID 99950865
N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260186
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methylanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47004237
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
N-benzyl-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylanilino]-N-methylacetamide
CID 4787146
N-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43900271

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide (CID 19260298) is 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide is CN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide?
The InChIKey is JLHCPKOEWSZPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-20(2)18(22)12-21(14-5-3-4-13(19)10-14)27(23,24)15-6-7-16-17(11-15)26-9-8-25-16/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide?
2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide has a molecular weight of 410.88 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 19260298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).