3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

C11H11F2N3O2S — CID 103854165

IUPAC3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)c1cn[nH]c1
InChIInChI=1S/C11H11F2N3O2S/c1-7(8-5-14-15-6-8)16-19(17,18)9-2-3-10(12)11(13)4-9/h2-7,16H,1H3,(H,14,15)
InChIKeyUOTQJPXZMUBDGN-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.73
Rot. Bonds4

About 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 103854165) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID103854165
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)c1cn[nH]c1
InChIInChI=1S/C11H11F2N3O2S/c1-7(8-5-14-15-6-8)16-19(17,18)9-2-3-10(12)11(13)4-9/h2-7,16H,1H3,(H,14,15)
InChIKeyUOTQJPXZMUBDGN-UHFFFAOYSA-N
XLogP1.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106217923
3-amino-4-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208303
3-amino-5-fluoro-4-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208377
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
2-hydroxy-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208820
2-bromo-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208908
2-iodo-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208885
4-fluoro-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217690
2-chloro-4-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 106217499
3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106214076
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 103854165) is 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(F)c1)c1cn[nH]c1.
What is the InChIKey of 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is UOTQJPXZMUBDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-7(8-5-14-15-6-8)16-19(17,18)9-2-3-10(12)11(13)4-9/h2-7,16H,1H3,(H,14,15).
What are the key properties of 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103854165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).