N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide

C16H14FN3O2S — CID 67645845

IUPACN-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide
SMILESCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-20-11-15(12-7-9-13(17)10-8-12)16(18-20)19-23(21,22)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyKZUCXZIKLDKKPL-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.03
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide

N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 67645845) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide
PubChem CID67645845
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide
SMILESCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-20-11-15(12-7-9-13(17)10-8-12)16(18-20)19-23(21,22)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyKZUCXZIKLDKKPL-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide (CID 67645845) is N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide is Cn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is KZUCXZIKLDKKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-20-11-15(12-7-9-13(17)10-8-12)16(18-20)19-23(21,22)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19).
What are the key properties of N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide?
N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).