N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H19NO4S — CID 110758931

IUPACN-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C17H19NO4S/c1-3-13-6-4-5-7-14(13)18-23(19,20)17-11-16-15(10-12(17)2)21-8-9-22-16/h4-7,10-11,18H,3,8-9H2,1-2H3
InChIKeyBDUAKZXIMFTNJK-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.13
Rot. Bonds4

About N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110758931) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110758931
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C17H19NO4S/c1-3-13-6-4-5-7-14(13)18-23(19,20)17-11-16-15(10-12(17)2)21-8-9-22-16/h4-7,10-11,18H,3,8-9H2,1-2H3
InChIKeyBDUAKZXIMFTNJK-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758953
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
N-(2-ethylphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995978
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758903
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110758931) is N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cc2c(cc1C)OCCO2.
What is the InChIKey of N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is BDUAKZXIMFTNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-13-6-4-5-7-14(13)18-23(19,20)17-11-16-15(10-12(17)2)21-8-9-22-16/h4-7,10-11,18H,3,8-9H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110758931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).