N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide

C19H16F2N6O3S — CID 86267025

IUPACN-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C19H16F2N6O3S/c1-27-11-14(10-22-27)31(28,29)26-18-17(24-15-7-2-3-8-16(15)25-18)23-12-5-4-6-13(9-12)30-19(20)21/h2-11,19H,1H3,(H,23,24)(H,25,26)
InChIKeyOPMXGUODYNWMSZ-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.51
Rot. Bonds7

About N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide

N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 86267025) has the molecular formula C19H16F2N6O3S and a molecular weight of 446.44 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID86267025
Molecular FormulaC19H16F2N6O3S
Molecular Weight446.44 g/mol
Exact Mass446.10
IUPAC NameN-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C19H16F2N6O3S/c1-27-11-14(10-22-27)31(28,29)26-18-17(24-15-7-2-3-8-16(15)25-18)23-12-5-4-6-13(9-12)30-19(20)21/h2-11,19H,1H3,(H,23,24)(H,25,26)
InChIKeyOPMXGUODYNWMSZ-UHFFFAOYSA-N
XLogP3.51
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide (CID 86267025) is N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(OC(F)F)c2)cn1.
What is the InChIKey of N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is OPMXGUODYNWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O3S/c1-27-11-14(10-22-27)31(28,29)26-18-17(24-15-7-2-3-8-16(15)25-18)23-12-5-4-6-13(9-12)30-19(20)21/h2-11,19H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide?
N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 446.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(difluoromethoxy)anilino]quinoxalin-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 86267025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).