4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C25H23ClN6O4S2 — CID 122184891

IUPAC4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36)
InChIKeyZTVVPWQVJFSRNL-UHFFFAOYSA-N
MW571.08 g/mol
LogP3.48
Rot. Bonds6

About 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 122184891) has the molecular formula C25H23ClN6O4S2 and a molecular weight of 571.08 g/mol. Its IUPAC name is 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID122184891
Molecular FormulaC25H23ClN6O4S2
Molecular Weight571.08 g/mol
Exact Mass570.09
IUPAC Name4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36)
InChIKeyZTVVPWQVJFSRNL-UHFFFAOYSA-N
XLogP3.48
TPSA153.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.08
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 122184891) is 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is ZTVVPWQVJFSRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36).
What are the key properties of 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 571.08 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 122184891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).