N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide

C16H11F2N3OS — CID 2227367

IUPACN-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C16H11F2N3OS/c17-16(18)23-12-4-2-11(3-5-12)21-15(22)10-1-6-13-14(9-10)20-8-7-19-13/h1-9,16H,(H,21,22)
InChIKeyCDUAAQYLKYPZPG-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.20
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide (PubChem CID 2227367) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide
PubChem CID2227367
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C16H11F2N3OS/c17-16(18)23-12-4-2-11(3-5-12)21-15(22)10-1-6-13-14(9-10)20-8-7-19-13/h1-9,16H,(H,21,22)
InChIKeyCDUAAQYLKYPZPG-UHFFFAOYSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide (CID 2227367) is N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is CDUAAQYLKYPZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-16(18)23-12-4-2-11(3-5-12)21-15(22)10-1-6-13-14(9-10)20-8-7-19-13/h1-9,16H,(H,21,22).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 2227367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).