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

C17H15N3O5S — CID 121023153

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1nccnc1-c1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O5S/c21-26(22,12-3-4-14-16(10-12)25-9-8-24-14)20-11-13-17(19-6-5-18-13)15-2-1-7-23-15/h1-7,10,20H,8-9,11H2
InChIKeyFCQCMCATRZUNJO-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.99
Rot. Bonds5

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

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 121023153) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID121023153
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1nccnc1-c1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O5S/c21-26(22,12-3-4-14-16(10-12)25-9-8-24-14)20-11-13-17(19-6-5-18-13)15-2-1-7-23-15/h1-7,10,20H,8-9,11H2
InChIKeyFCQCMCATRZUNJO-UHFFFAOYSA-N
XLogP1.99
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 121023148
N-[(3-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 123164663
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16905583
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide
CID 121199016
N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71797281
N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 167887858
N-(1,3-benzoxazol-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110785043
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 72717207
N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110671509
N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 801583
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 811934
4-(dimethylsulfamoyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198772

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 121023153) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCc1nccnc1-c1ccco1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FCQCMCATRZUNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c21-26(22,12-3-4-14-16(10-12)25-9-8-24-14)20-11-13-17(19-6-5-18-13)15-2-1-7-23-15/h1-7,10,20H,8-9,11H2.
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 373.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 121023153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).