N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide

C18H15F3N4OS — CID 143758103

IUPACN-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide
SMILESO=S(Nc1ccc(F)c(F)c1Nc1ccc(-c2cn[nH]c2)cc1F)C1CC1
InChIInChI=1S/C18H15F3N4OS/c19-13-4-6-16(25-27(26)12-2-3-12)18(17(13)21)24-15-5-1-10(7-14(15)20)11-8-22-23-9-11/h1,4-9,12,24-25H,2-3H2,(H,22,23)
InChIKeyFAMKIOGDXBBHLX-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.48
Rot. Bonds6

About N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide

N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide (PubChem CID 143758103) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide.

Molecular Properties

Compound NameN-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide
PubChem CID143758103
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC NameN-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide
SMILESO=S(Nc1ccc(F)c(F)c1Nc1ccc(-c2cn[nH]c2)cc1F)C1CC1
InChIInChI=1S/C18H15F3N4OS/c19-13-4-6-16(25-27(26)12-2-3-12)18(17(13)21)24-15-5-1-10(7-14(15)20)11-8-22-23-9-11/h1,4-9,12,24-25H,2-3H2,(H,22,23)
InChIKeyFAMKIOGDXBBHLX-UHFFFAOYSA-N
XLogP4.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide?
The IUPAC name of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide (CID 143758103) is N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide.
What is the SMILES notation for N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide?
The canonical SMILES for N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide is O=S(Nc1ccc(F)c(F)c1Nc1ccc(-c2cn[nH]c2)cc1F)C1CC1.
What is the InChIKey of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide?
The InChIKey is FAMKIOGDXBBHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c19-13-4-6-16(25-27(26)12-2-3-12)18(17(13)21)24-15-5-1-10(7-14(15)20)11-8-22-23-9-11/h1,4-9,12,24-25H,2-3H2,(H,22,23).
What are the key properties of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide?
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide has a molecular weight of 392.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide is sourced from PubChem (CID 143758103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).