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

C14H10ClFN2O3S — CID 45269344

IUPAC6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H10ClFN2O3S/c15-9-1-6-12-13(7-9)18(8-14(19)17-12)22(20,21)11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,19)
InChIKeyLLDHONXZFAQQEH-UHFFFAOYSA-N
MW340.76 g/mol
LogP2.63
Rot. Bonds2

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

6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 45269344) has the molecular formula C14H10ClFN2O3S and a molecular weight of 340.76 g/mol. Its IUPAC name is 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID45269344
Molecular FormulaC14H10ClFN2O3S
Molecular Weight340.76 g/mol
Exact Mass340.01
IUPAC Name6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H10ClFN2O3S/c15-9-1-6-12-13(7-9)18(8-14(19)17-12)22(20,21)11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,19)
InChIKeyLLDHONXZFAQQEH-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 45269344) is 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is LLDHONXZFAQQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3S/c15-9-1-6-12-13(7-9)18(8-14(19)17-12)22(20,21)11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,19).
What are the key properties of 6-chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
6-chloro-4-(4-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-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 45269344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).