N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide

C18H15F3N4O2S — CID 59386340

IUPACN-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(-c2ccn[nH]2)cc1F)C1CC1
InChIInChI=1S/C18H15F3N4O2S/c19-12-4-6-16(25-28(26,27)11-2-3-11)18(17(12)21)23-15-5-1-10(9-13(15)20)14-7-8-22-24-14/h1,4-9,11,23,25H,2-3H2,(H,22,24)
InChIKeyCCHPLFBIPNLLCX-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.14
Rot. Bonds6

About N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide

N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide (PubChem CID 59386340) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
PubChem CID59386340
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC NameN-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(-c2ccn[nH]2)cc1F)C1CC1
InChIInChI=1S/C18H15F3N4O2S/c19-12-4-6-16(25-28(26,27)11-2-3-11)18(17(12)21)23-15-5-1-10(9-13(15)20)14-7-8-22-24-14/h1,4-9,11,23,25H,2-3H2,(H,22,24)
InChIKeyCCHPLFBIPNLLCX-UHFFFAOYSA-N
XLogP4.14
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide (CID 59386340) is N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(-c2ccn[nH]2)cc1F)C1CC1.
What is the InChIKey of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide?
The InChIKey is CCHPLFBIPNLLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c19-12-4-6-16(25-28(26,27)11-2-3-11)18(17(12)21)23-15-5-1-10(9-13(15)20)14-7-8-22-24-14/h1,4-9,11,23,25H,2-3H2,(H,22,24).
What are the key properties of N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide?
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide has a molecular weight of 408.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 59386340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).