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

C14H10ClFN2O3S — CID 45271860

IUPAC6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(F)c2)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H10ClFN2O3S/c15-9-4-5-12-13(6-9)18(8-14(19)17-12)22(20,21)11-3-1-2-10(16)7-11/h1-7H,8H2,(H,17,19)
InChIKeyURVURUHUCGJLEM-UHFFFAOYSA-N
MW340.76 g/mol
LogP2.63
Rot. Bonds2

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

6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 45271860) has the molecular formula C14H10ClFN2O3S and a molecular weight of 340.76 g/mol. Its IUPAC name is 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID45271860
Molecular FormulaC14H10ClFN2O3S
Molecular Weight340.76 g/mol
Exact Mass340.01
IUPAC Name6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(F)c2)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H10ClFN2O3S/c15-9-4-5-12-13(6-9)18(8-14(19)17-12)22(20,21)11-3-1-2-10(16)7-11/h1-7H,8H2,(H,17,19)
InChIKeyURVURUHUCGJLEM-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.63
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
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
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-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3954803

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 45271860) is 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2cccc(F)c2)c2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is URVURUHUCGJLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3S/c15-9-4-5-12-13(6-9)18(8-14(19)17-12)22(20,21)11-3-1-2-10(16)7-11/h1-7H,8H2,(H,17,19).
What are the key properties of 6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
6-chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 340.76 g/mol, XLogP of 2.63, 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-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 45271860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).