3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride

C46H28Br2Cl3N9O6S2 — CID 161264834

IUPAC3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride
SMILESNS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.O=c1c2cnn(-c3cccc(S(=O)(=O)Cl)c3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H13BrCl2N4O3S.C23H15BrClN5O3S/c2*24-15-6-4-14(5-7-15)21-28-22-20(23(31)29(21)17-10-8-16(25)9-11-17)13-27-30(22)18-2-1-3-19(12-18)34(26,32)33/h1-13H;1-13H,(H2,26,32,33)
InChIKeyVDAQWAFKAOQPJB-UHFFFAOYSA-N
MW1133.09 g/mol
LogP9.88
Rot. Bonds8

About 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride

3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride (PubChem CID 161264834) has the molecular formula C46H28Br2Cl3N9O6S2 and a molecular weight of 1133.09 g/mol. Its IUPAC name is 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride
PubChem CID161264834
Molecular FormulaC46H28Br2Cl3N9O6S2
Molecular Weight1133.09 g/mol
Exact Mass1128.90
IUPAC Name3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride
SMILESNS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.O=c1c2cnn(-c3cccc(S(=O)(=O)Cl)c3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H13BrCl2N4O3S.C23H15BrClN5O3S/c2*24-15-6-4-14(5-7-15)21-28-22-20(23(31)29(21)17-10-8-16(25)9-11-17)13-27-30(22)18-2-1-3-19(12-18)34(26,32)33/h1-13H;1-13H,(H2,26,32,33)
InChIKeyVDAQWAFKAOQPJB-UHFFFAOYSA-N
XLogP9.88
TPSA199.72 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.09
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride 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 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride?
The IUPAC name of 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride (CID 161264834) is 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride?
The canonical SMILES for 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride is NS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.O=c1c2cnn(-c3cccc(S(=O)(=O)Cl)c3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride?
The InChIKey is VDAQWAFKAOQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrCl2N4O3S.C23H15BrClN5O3S/c2*24-15-6-4-14(5-7-15)21-28-22-20(23(31)29(21)17-10-8-16(25)9-11-17)13-27-30(22)18-2-1-3-19(12-18)34(26,32)33/h1-13H;1-13H,(H2,26,32,33).
What are the key properties of 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride?
3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride has a molecular weight of 1133.09 g/mol, XLogP of 9.88, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonyl chloride is sourced from PubChem (CID 161264834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).