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

C16H17NO5S — CID 110758941

IUPACN-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2C)OCCO3)cc1
InChIInChI=1S/C16H17NO5S/c1-11-9-14-15(22-8-7-21-14)10-16(11)23(18,19)17-12-3-5-13(20-2)6-4-12/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyATUUPEHAGWRQMF-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.58
Rot. Bonds4

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

N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110758941) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110758941
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2C)OCCO3)cc1
InChIInChI=1S/C16H17NO5S/c1-11-9-14-15(22-8-7-21-14)10-16(11)23(18,19)17-12-3-5-13(20-2)6-4-12/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyATUUPEHAGWRQMF-UHFFFAOYSA-N
XLogP2.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758953
N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide
CID 102506391
N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
1-amino-N-(4-methoxyphenyl)-4,6-dimethylpyridin-1-ium-3-sulfonamide
CID 102506396
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758931
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110758941) is N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1ccc(NS(=O)(=O)c2cc3c(cc2C)OCCO3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is ATUUPEHAGWRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-9-14-15(22-8-7-21-14)10-16(11)23(18,19)17-12-3-5-13(20-2)6-4-12/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 335.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110758941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).