4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C17H18N2O4S — CID 110667530

IUPAC4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(2)23-13-7-9-14(10-8-13)24(21,22)19-11-17(20)18-15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyHOBSNHFHAVYWDC-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.62
Rot. Bonds4

About 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 110667530) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID110667530
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(2)23-13-7-9-14(10-8-13)24(21,22)19-11-17(20)18-15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyHOBSNHFHAVYWDC-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
CID 110669678
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60723912
9-(4-propan-2-yloxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719820
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 55579713
10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110670820
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 107650918
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 110667530) is 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is CC(C)Oc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is HOBSNHFHAVYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(2)23-13-7-9-14(10-8-13)24(21,22)19-11-17(20)18-15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,18,20).
What are the key properties of 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 346.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 110667530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).