4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

C15H13FN4O2S — CID 6539627

IUPAC4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C15H13FN4O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
InChIKeyNWIYVWKNSRTHFA-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.61
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539627) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539627
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C15H13FN4O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
InChIKeyNWIYVWKNSRTHFA-UHFFFAOYSA-N
XLogP2.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539627) is 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is NWIYVWKNSRTHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).