N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide

C15H12FN3O2S — CID 67645901

IUPACN-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)
InChIKeyUKSSBKQADDPVEX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide

N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 67645901) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID67645901
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)
InChIKeyUKSSBKQADDPVEX-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 67645901) is N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1[nH]ncc1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is UKSSBKQADDPVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13/h1-10H,(H2,17,18,19).
What are the key properties of N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67645901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).