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

C16H13BrFN3O2S — CID 22203534

IUPAC4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrFN3O2S/c17-13-3-7-15(8-4-13)24(22,23)20-16-9-10-21(19-16)11-12-1-5-14(18)6-2-12/h1-10H,11H2,(H,19,20)
InChIKeyPRNNBIJMILUMTG-UHFFFAOYSA-N
MW410.27 g/mol
LogP3.63
Rot. Bonds5

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

4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22203534) has the molecular formula C16H13BrFN3O2S and a molecular weight of 410.27 g/mol. Its IUPAC name is 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22203534
Molecular FormulaC16H13BrFN3O2S
Molecular Weight410.27 g/mol
Exact Mass408.99
IUPAC Name4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrFN3O2S/c17-13-3-7-15(8-4-13)24(22,23)20-16-9-10-21(19-16)11-12-1-5-14(18)6-2-12/h1-10H,11H2,(H,19,20)
InChIKeyPRNNBIJMILUMTG-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22203534) is 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is PRNNBIJMILUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2S/c17-13-3-7-15(8-4-13)24(22,23)20-16-9-10-21(19-16)11-12-1-5-14(18)6-2-12/h1-10H,11H2,(H,19,20).
What are the key properties of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 410.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22203534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).