1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline

C18H20N2O4S — CID 110669805

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C18H20N2O4S/c1-13(2)19-9-10-20(16-6-4-3-5-15(16)19)25(21,22)14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyROCBIXPLPJKLNS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.84
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline

1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline (PubChem CID 110669805) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
PubChem CID110669805
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C18H20N2O4S/c1-13(2)19-9-10-20(16-6-4-3-5-15(16)19)25(21,22)14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyROCBIXPLPJKLNS-UHFFFAOYSA-N
XLogP2.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
1-(1,3-benzodioxol-5-ylsulfonyl)-4-methyl-3,4-dihydro-2H-quinoline
CID 110737850
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(1-phenylethyl)piperazine
CID 113074042
4-(1,3-benzodioxol-5-ylsulfonyl)-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 110639375
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
CID 113076649
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
2-[(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)sulfonyl]benzonitrile
CID 110669819
1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
CID 3153760
4-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-1-phenylpiperazine
CID 110658063
1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one
CID 110635542

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline (CID 110669805) is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline is CC(C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline?
The InChIKey is ROCBIXPLPJKLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(2)19-9-10-20(16-6-4-3-5-15(16)19)25(21,22)14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline?
1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline has a molecular weight of 360.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline is sourced from PubChem (CID 110669805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).