N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

C15H14BrF2N3O3S — CID 24759449

IUPACN-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O
InChIInChI=1S/C15H14BrF2N3O3S/c1-21-7-12(20-25(23,24)9-3-4-9)14(13(18)15(21)22)19-11-5-2-8(16)6-10(11)17/h2,5-7,9,19-20H,3-4H2,1H3
InChIKeyHVKRDHCBSUPWGC-UHFFFAOYSA-N
MW434.26 g/mol
LogP3.07
Rot. Bonds5

About N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 24759449) has the molecular formula C15H14BrF2N3O3S and a molecular weight of 434.26 g/mol. Its IUPAC name is N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
PubChem CID24759449
Molecular FormulaC15H14BrF2N3O3S
Molecular Weight434.26 g/mol
Exact Mass432.99
IUPAC NameN-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O
InChIInChI=1S/C15H14BrF2N3O3S/c1-21-7-12(20-25(23,24)9-3-4-9)14(13(18)15(21)22)19-11-5-2-8(16)6-10(11)17/h2,5-7,9,19-20H,3-4H2,1H3
InChIKeyHVKRDHCBSUPWGC-UHFFFAOYSA-N
XLogP3.07
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (CID 24759449) is N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is Cn1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O.
What is the InChIKey of N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is HVKRDHCBSUPWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N3O3S/c1-21-7-12(20-25(23,24)9-3-4-9)14(13(18)15(21)22)19-11-5-2-8(16)6-10(11)17/h2,5-7,9,19-20H,3-4H2,1H3.
What are the key properties of N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 434.26 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 24759449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).