3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride

C10H11ClN2O3S — CID 84713969

IUPAC3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride
SMILESCC1(C)Nc2cc(S(=O)(=O)Cl)ccc2NC1=O
InChIInChI=1S/C10H11ClN2O3S/c1-10(2)9(14)12-7-4-3-6(17(11,15)16)5-8(7)13-10/h3-5,13H,1-2H3,(H,12,14)
InChIKeyQNKGOEBKIXCILC-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.76
Rot. Bonds1

About 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride

3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride (PubChem CID 84713969) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride
PubChem CID84713969
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride
SMILESCC1(C)Nc2cc(S(=O)(=O)Cl)ccc2NC1=O
InChIInChI=1S/C10H11ClN2O3S/c1-10(2)9(14)12-7-4-3-6(17(11,15)16)5-8(7)13-10/h3-5,13H,1-2H3,(H,12,14)
InChIKeyQNKGOEBKIXCILC-UHFFFAOYSA-N
XLogP1.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane
CID 90978779
1,4-dihydroquinoxaline-6-sulfonyl chloride
CID 19958575
2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride
CID 83853467
2-(3,3-dimethyl-2-oxo-1,4-dihydroquinoxalin-6-yl)propanenitrile
CID 84792828
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride
CID 155094948
2-oxo-1,4-dihydro-3,1-benzoxazine-7-sulfonyl chloride
CID 84803405
6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 19932785
2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonyl chloride
CID 53212004
3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one
CID 82008246
7-methylnaphthalene-2-sulfonyl chloride
CID 10824001
thianthrene-2,8-disulfonyl chloride
CID 19906721

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride?
The IUPAC name of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride (CID 84713969) is 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride.
What is the SMILES notation for 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride?
The canonical SMILES for 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride is CC1(C)Nc2cc(S(=O)(=O)Cl)ccc2NC1=O.
What is the InChIKey of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride?
The InChIKey is QNKGOEBKIXCILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-10(2)9(14)12-7-4-3-6(17(11,15)16)5-8(7)13-10/h3-5,13H,1-2H3,(H,12,14).
What are the key properties of 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride?
3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride has a molecular weight of 274.73 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride is sourced from PubChem (CID 84713969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).