N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide

C21H15ClFN3O2S — CID 67580493

IUPACN-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(-c2ccc(Cl)cc2)cc1-c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C21H15ClFN3O2S/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-6-18(23)13-16)26(24-20)25-29(27,28)19-7-2-1-3-8-19/h1-14,25H
InChIKeyXONTWCPNDAFPGO-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.94
Rot. Bonds5

About N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide

N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580493) has the molecular formula C21H15ClFN3O2S and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580493
Molecular FormulaC21H15ClFN3O2S
Molecular Weight427.89 g/mol
Exact Mass427.06
IUPAC NameN-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(-c2ccc(Cl)cc2)cc1-c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C21H15ClFN3O2S/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-6-18(23)13-16)26(24-20)25-29(27,28)19-7-2-1-3-8-19/h1-14,25H
InChIKeyXONTWCPNDAFPGO-UHFFFAOYSA-N
XLogP4.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 67580493) is N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(-c2ccc(Cl)cc2)cc1-c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is XONTWCPNDAFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2S/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-6-18(23)13-16)26(24-20)25-29(27,28)19-7-2-1-3-8-19/h1-14,25H.
What are the key properties of N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 427.89 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).