1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

C19H18N2O4S2 — CID 90626917

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)CC2COc3ccccc3O2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-13-20-17(11-26-13)15-6-2-3-7-16(15)21-27(22,23)12-14-10-24-18-8-4-5-9-19(18)25-14/h2-9,11,14,21H,10,12H2,1H3
InChIKeyDWVVWFURSOVFDJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.70
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (PubChem CID 90626917) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
PubChem CID90626917
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)CC2COc3ccccc3O2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-13-20-17(11-26-13)15-6-2-3-7-16(15)21-27(22,23)12-14-10-24-18-8-4-5-9-19(18)25-14/h2-9,11,14,21H,10,12H2,1H3
InChIKeyDWVVWFURSOVFDJ-UHFFFAOYSA-N
XLogP3.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (CID 90626917) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is Cc1nc(-c2ccccc2NS(=O)(=O)CC2COc3ccccc3O2)cs1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is DWVVWFURSOVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-13-20-17(11-26-13)15-6-2-3-7-16(15)21-27(22,23)12-14-10-24-18-8-4-5-9-19(18)25-14/h2-9,11,14,21H,10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 402.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 90626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).