6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C14H9ClF2N2O3S — CID 45271847

IUPAC6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(F)cc(F)c2)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H9ClF2N2O3S/c15-8-1-2-12-13(3-8)19(7-14(20)18-12)23(21,22)11-5-9(16)4-10(17)6-11/h1-6H,7H2,(H,18,20)
InChIKeyQPISGXPPVKQJBH-UHFFFAOYSA-N
MW358.75 g/mol
LogP2.77
Rot. Bonds2

About 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 45271847) has the molecular formula C14H9ClF2N2O3S and a molecular weight of 358.75 g/mol. Its IUPAC name is 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID45271847
Molecular FormulaC14H9ClF2N2O3S
Molecular Weight358.75 g/mol
Exact Mass358.00
IUPAC Name6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(F)cc(F)c2)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H9ClF2N2O3S/c15-8-1-2-12-13(3-8)19(7-14(20)18-12)23(21,22)11-5-9(16)4-10(17)6-11/h1-6H,7H2,(H,18,20)
InChIKeyQPISGXPPVKQJBH-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
4-(4-Fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093238
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274479
4-(2,5-Dichlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 2476678
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685618
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 3280480
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884602
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 5019114

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 45271847) is 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2cc(F)cc(F)c2)c2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is QPISGXPPVKQJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O3S/c15-8-1-2-12-13(3-8)19(7-14(20)18-12)23(21,22)11-5-9(16)4-10(17)6-11/h1-6H,7H2,(H,18,20).
What are the key properties of 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.75 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 45271847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).