4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide

C22H22N2O6S2 — CID 70139059

IUPAC4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)OCCO3)cc1
InChIInChI=1S/C22H22N2O6S2/c1-15-3-7-17(8-4-15)31(25,26)23-19-13-21-22(30-12-11-29-21)14-20(19)24-32(27,28)18-9-5-16(2)6-10-18/h3-10,13-14,23-24H,11-12H2,1-2H3
InChIKeyKDVUOKMWZXEQIO-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.68
Rot. Bonds6

About 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide

4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide (PubChem CID 70139059) has the molecular formula C22H22N2O6S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
PubChem CID70139059
Molecular FormulaC22H22N2O6S2
Molecular Weight474.56 g/mol
Exact Mass474.09
IUPAC Name4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)OCCO3)cc1
InChIInChI=1S/C22H22N2O6S2/c1-15-3-7-17(8-4-15)31(25,26)23-19-13-21-22(30-12-11-29-21)14-20(19)24-32(27,28)18-9-5-16(2)6-10-18/h3-10,13-14,23-24H,11-12H2,1-2H3
InChIKeyKDVUOKMWZXEQIO-UHFFFAOYSA-N
XLogP3.68
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
4-methyl-N-[7-(5-methylfuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzenesulfonamide
CID 7148140
4-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 169371408
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
CID 17477626
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 43550629
4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide
CID 169372032
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 26964948
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169373081

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide (CID 70139059) is 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)OCCO3)cc1.
What is the InChIKey of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide?
The InChIKey is KDVUOKMWZXEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S2/c1-15-3-7-17(8-4-15)31(25,26)23-19-13-21-22(30-12-11-29-21)14-20(19)24-32(27,28)18-9-5-16(2)6-10-18/h3-10,13-14,23-24H,11-12H2,1-2H3.
What are the key properties of 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide?
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide has a molecular weight of 474.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide is sourced from PubChem (CID 70139059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).