6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

C15H11N3O5S — CID 110667522

IUPAC6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2ccccc2N1
InChIInChI=1S/C15H11N3O5S/c19-14-8-18(12-4-2-1-3-10(12)16-14)24(21,22)9-5-6-11-13(7-9)23-15(20)17-11/h1-7H,8H2,(H,16,19)(H,17,20)
InChIKeyDUTXCQYLCMAKBJ-UHFFFAOYSA-N
MW345.34 g/mol
LogP1.27
Rot. Bonds2

About 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one

6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 110667522) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
PubChem CID110667522
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC Name6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2ccccc2N1
InChIInChI=1S/C15H11N3O5S/c19-14-8-18(12-4-2-1-3-10(12)16-14)24(21,22)9-5-6-11-13(7-9)23-15(20)17-11/h1-7H,8H2,(H,16,19)(H,17,20)
InChIKeyDUTXCQYLCMAKBJ-UHFFFAOYSA-N
XLogP1.27
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
6-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95169419
6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110725206
4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 7335367
6-(3-oxo-2-phenylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110644647
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60723912
6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95230701
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239

Frequently Asked Questions

What is the IUPAC name of 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one (CID 110667522) is 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is O=C1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2ccccc2N1.
What is the InChIKey of 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is DUTXCQYLCMAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c19-14-8-18(12-4-2-1-3-10(12)16-14)24(21,22)9-5-6-11-13(7-9)23-15(20)17-11/h1-7H,8H2,(H,16,19)(H,17,20).
What are the key properties of 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one?
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 345.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110667522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).