4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one

C15H12N2O5S — CID 110667520

IUPAC4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2N1
InChIInChI=1S/C15H12N2O5S/c18-15-8-17(12-4-2-1-3-11(12)16-15)23(19,20)10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,16,18)
InChIKeyKWYFIPDRFSOYIY-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.56
Rot. Bonds2

About 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one

4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 110667520) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID110667520
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2N1
InChIInChI=1S/C15H12N2O5S/c18-15-8-17(12-4-2-1-3-11(12)16-15)23(19,20)10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,16,18)
InChIKeyKWYFIPDRFSOYIY-UHFFFAOYSA-N
XLogP1.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 7335367
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 26860516
1-(1,3-benzodioxol-5-ylsulfonyl)-4-methyl-3,4-dihydro-2H-quinoline
CID 110737850
1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
CID 110669805
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239
4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one
CID 86799240
4-(1,3-benzodioxol-5-ylsulfonyl)-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 110639375

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one (CID 110667520) is 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2N1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is KWYFIPDRFSOYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c18-15-8-17(12-4-2-1-3-11(12)16-15)23(19,20)10-5-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,16,18).
What are the key properties of 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one?
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 332.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 110667520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).