3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

C10H10FN3O2S — CID 71756060

IUPAC3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C10H10FN3O2S/c1-7-5-13-14(6-7)10-3-2-8(4-9(10)11)17(12,15)16/h2-6H,1H3,(H2,12,15,16)
InChIKeyZIRPEEINIFFWPZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.97
Rot. Bonds2

About 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (PubChem CID 71756060) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
PubChem CID71756060
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C10H10FN3O2S/c1-7-5-13-14(6-7)10-3-2-8(4-9(10)11)17(12,15)16/h2-6H,1H3,(H2,12,15,16)
InChIKeyZIRPEEINIFFWPZ-UHFFFAOYSA-N
XLogP0.97
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (CID 71756060) is 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is Cc1cnn(-c2ccc(S(N)(=O)=O)cc2F)c1.
What is the InChIKey of 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is ZIRPEEINIFFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-7-5-13-14(6-7)10-3-2-8(4-9(10)11)17(12,15)16/h2-6H,1H3,(H2,12,15,16).
What are the key properties of 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 255.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 71756060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).