4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C14H11ClN2O3S — CID 1093239

IUPAC4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C14H11ClN2O3S/c15-10-5-7-11(8-6-10)21(19,20)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)
InChIKeyDJPSCONZKNJHKI-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.49
Rot. Bonds2

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

4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 1093239) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID1093239
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C14H11ClN2O3S/c15-10-5-7-11(8-6-10)21(19,20)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)
InChIKeyDJPSCONZKNJHKI-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 7335367
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432
(4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6976078
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 107650918
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60723912
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 79369663

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 1093239) is 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is DJPSCONZKNJHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-10-5-7-11(8-6-10)21(19,20)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 322.77 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 1093239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).