N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide

C8H14FN3O2S — CID 166281983

IUPACN-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)F)n(C)n1
InChIInChI=1S/C8H14FN3O2S/c1-6(9)5-10-15(13,14)8-4-7(2)11-12(8)3/h4,6,10H,5H2,1-3H3
InChIKeyOAPJKKJBZXDATN-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.36
Rot. Bonds4

About N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide

N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide (PubChem CID 166281983) has the molecular formula C8H14FN3O2S and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide
PubChem CID166281983
Molecular FormulaC8H14FN3O2S
Molecular Weight235.28 g/mol
Exact Mass235.08
IUPAC NameN-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)F)n(C)n1
InChIInChI=1S/C8H14FN3O2S/c1-6(9)5-10-15(13,14)8-4-7(2)11-12(8)3/h4,6,10H,5H2,1-3H3
InChIKeyOAPJKKJBZXDATN-UHFFFAOYSA-N
XLogP0.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide?
The IUPAC name of N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide (CID 166281983) is N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide is Cc1cc(S(=O)(=O)NCC(C)F)n(C)n1.
What is the InChIKey of N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide?
The InChIKey is OAPJKKJBZXDATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O2S/c1-6(9)5-10-15(13,14)8-4-7(2)11-12(8)3/h4,6,10H,5H2,1-3H3.
What are the key properties of N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide?
N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide has a molecular weight of 235.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-2,5-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 166281983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).