N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide

C22H19F2N5O3S — CID 71268652

IUPACN-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-n4cnc(C)c4)nc3c2)c1F
InChIInChI=1S/C22H19F2N5O3S/c1-3-8-33(31,32)28-17-7-5-15(23)20(21(17)24)22(30)14-4-6-16-18(9-14)27-19(10-25-16)29-11-13(2)26-12-29/h4-7,9-12,28H,3,8H2,1-2H3
InChIKeyPLLYHWIMMPLLRO-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.78
Rot. Bonds7

About N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 71268652) has the molecular formula C22H19F2N5O3S and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID71268652
Molecular FormulaC22H19F2N5O3S
Molecular Weight471.49 g/mol
Exact Mass471.12
IUPAC NameN-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-n4cnc(C)c4)nc3c2)c1F
InChIInChI=1S/C22H19F2N5O3S/c1-3-8-33(31,32)28-17-7-5-15(23)20(21(17)24)22(30)14-4-6-16-18(9-14)27-19(10-25-16)29-11-13(2)26-12-29/h4-7,9-12,28H,3,8H2,1-2H3
InChIKeyPLLYHWIMMPLLRO-UHFFFAOYSA-N
XLogP3.78
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (CID 71268652) is N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-n4cnc(C)c4)nc3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is PLLYHWIMMPLLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3S/c1-3-8-33(31,32)28-17-7-5-15(23)20(21(17)24)22(30)14-4-6-16-18(9-14)27-19(10-25-16)29-11-13(2)26-12-29/h4-7,9-12,28H,3,8H2,1-2H3.
What are the key properties of N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 471.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).