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

C15H9F4N3O2S — CID 141365948

IUPACN-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(-c2ccn[nH]2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C15H9F4N3O2S/c16-8-1-2-9(17)13(7-8)25(23,24)22-12-4-3-10(18)14(15(12)19)11-5-6-20-21-11/h1-7,22H,(H,20,21)
InChIKeyAQEGAIPEQDYHJF-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.43
Rot. Bonds4

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

N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 141365948) has the molecular formula C15H9F4N3O2S and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID141365948
Molecular FormulaC15H9F4N3O2S
Molecular Weight371.32 g/mol
Exact Mass371.04
IUPAC NameN-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(-c2ccn[nH]2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C15H9F4N3O2S/c16-8-1-2-9(17)13(7-8)25(23,24)22-12-4-3-10(18)14(15(12)19)11-5-6-20-21-11/h1-7,22H,(H,20,21)
InChIKeyAQEGAIPEQDYHJF-UHFFFAOYSA-N
XLogP3.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide (CID 141365948) is N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(-c2ccn[nH]2)c1F)c1cc(F)ccc1F.
What is the InChIKey of N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is AQEGAIPEQDYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2S/c16-8-1-2-9(17)13(7-8)25(23,24)22-12-4-3-10(18)14(15(12)19)11-5-6-20-21-11/h1-7,22H,(H,20,21).
What are the key properties of N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 371.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 141365948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).