N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide

C16H17NO4S — CID 7516335

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H17NO4S/c1-2-12-3-6-14(7-4-12)22(18,19)17-13-5-8-15-16(11-13)21-10-9-20-15/h3-8,11,17H,2,9-10H2,1H3
InChIKeyJAFTWEJDFNVRST-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.82
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide (PubChem CID 7516335) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
PubChem CID7516335
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H17NO4S/c1-2-12-3-6-14(7-4-12)22(18,19)17-13-5-8-15-16(11-13)21-10-9-20-15/h3-8,11,17H,2,9-10H2,1H3
InChIKeyJAFTWEJDFNVRST-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 4588677
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methyl-2-sulfanylpropanoyl)benzenesulfonamide
CID 11610879
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
N-(1,3-benzodioxol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3861859

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide (CID 7516335) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide?
The InChIKey is JAFTWEJDFNVRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-12-3-6-14(7-4-12)22(18,19)17-13-5-8-15-16(11-13)21-10-9-20-15/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 7516335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).