4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C30H23BrFN5O2S — CID 46703656

IUPAC4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C30H23BrFN5O2S/c31-22-10-6-21(7-11-22)30-27(19-36(35-30)24-4-2-1-3-5-24)29-18-28(20-8-12-23(32)13-9-20)34-37(29)25-14-16-26(17-15-25)40(33,38)39/h1-17,19,29H,18H2,(H2,33,38,39)
InChIKeyPOXAZSCOPKTIKA-UHFFFAOYSA-N
MW616.52 g/mol
LogP6.44
Rot. Bonds6

About 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 46703656) has the molecular formula C30H23BrFN5O2S and a molecular weight of 616.52 g/mol. Its IUPAC name is 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID46703656
Molecular FormulaC30H23BrFN5O2S
Molecular Weight616.52 g/mol
Exact Mass615.07
IUPAC Name4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C30H23BrFN5O2S/c31-22-10-6-21(7-11-22)30-27(19-36(35-30)24-4-2-1-3-5-24)29-18-28(20-8-12-23(32)13-9-20)34-37(29)25-14-16-26(17-15-25)40(33,38)39/h1-17,19,29H,18H2,(H2,33,38,39)
InChIKeyPOXAZSCOPKTIKA-UHFFFAOYSA-N
XLogP6.44
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.52
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 46703656) is 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is POXAZSCOPKTIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrFN5O2S/c31-22-10-6-21(7-11-22)30-27(19-36(35-30)24-4-2-1-3-5-24)29-18-28(20-8-12-23(32)13-9-20)34-37(29)25-14-16-26(17-15-25)40(33,38)39/h1-17,19,29H,18H2,(H2,33,38,39).
What are the key properties of 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 616.52 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 46703656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).