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

C17H16FN3O2S — CID 67645855

IUPACN-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H16FN3O2S/c1-2-21-12-16(13-8-10-14(18)11-9-13)17(19-21)20-24(22,23)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,19,20)
InChIKeyCUKNLNVBUISGMY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.51
Rot. Bonds5

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

N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645855) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67645855
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H16FN3O2S/c1-2-21-12-16(13-8-10-14(18)11-9-13)17(19-21)20-24(22,23)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,19,20)
InChIKeyCUKNLNVBUISGMY-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (CID 67645855) is N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is CCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is CUKNLNVBUISGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-2-21-12-16(13-8-10-14(18)11-9-13)17(19-21)20-24(22,23)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,19,20).
What are the key properties of N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).