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

C17H19NO5S — CID 6463917

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H19NO5S/c1-18(12-13-3-5-14(21-2)6-4-13)24(19,20)15-7-8-16-17(11-15)23-10-9-22-16/h3-8,11H,9-10,12H2,1-2H3
InChIKeyBBVCZFNSGJVOCJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.29
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 6463917) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID6463917
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H19NO5S/c1-18(12-13-3-5-14(21-2)6-4-13)24(19,20)15-7-8-16-17(11-15)23-10-9-22-16/h3-8,11H,9-10,12H2,1-2H3
InChIKeyBBVCZFNSGJVOCJ-UHFFFAOYSA-N
XLogP2.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 6463917) is N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is BBVCZFNSGJVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-18(12-13-3-5-14(21-2)6-4-13)24(19,20)15-7-8-16-17(11-15)23-10-9-22-16/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 6463917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).