3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

C12H14FN3O2S — CID 115686443

IUPAC3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H14FN3O2S/c1-8(2)11-7-12(15-14-11)16-19(17,18)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyJFVWAFBMKZPJOW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.47
Rot. Bonds4

About 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 115686443) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID115686443
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cccc(F)c2)n[nH]1
InChIInChI=1S/C12H14FN3O2S/c1-8(2)11-7-12(15-14-11)16-19(17,18)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,15,16)
InChIKeyJFVWAFBMKZPJOW-UHFFFAOYSA-N
XLogP2.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
4-bromo-3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 103761318
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525
5-amino-2,4-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616943
3-amino-5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616959
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
1-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104617525
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 115686443) is 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is CC(C)c1cc(NS(=O)(=O)c2cccc(F)c2)n[nH]1.
What is the InChIKey of 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is JFVWAFBMKZPJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8(2)11-7-12(15-14-11)16-19(17,18)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,15,16).
What are the key properties of 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 115686443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).