(3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide

C23H19ClFN5O4S — CID 52940908

IUPAC(3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC=NN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C23H19ClFN5O4S/c24-15-6-8-16(9-7-15)28-23(32)30-20(11-12-27-30)22(31)29-19-10-5-14(13-18(19)25)17-3-1-2-4-21(17)35(26,33)34/h1-10,12-13,20H,11H2,(H,28,32)(H,29,31)(H2,26,33,34)/t20-/m1/s1
InChIKeyNHTLSJPCXWOLJQ-HXUWFJFHSA-N
MW515.95 g/mol
LogP4.02
Rot. Bonds5

About (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide

(3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide (PubChem CID 52940908) has the molecular formula C23H19ClFN5O4S and a molecular weight of 515.95 g/mol. Its IUPAC name is (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide
PubChem CID52940908
Molecular FormulaC23H19ClFN5O4S
Molecular Weight515.95 g/mol
Exact Mass515.08
IUPAC Name(3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC=NN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C23H19ClFN5O4S/c24-15-6-8-16(9-7-15)28-23(32)30-20(11-12-27-30)22(31)29-19-10-5-14(13-18(19)25)17-3-1-2-4-21(17)35(26,33)34/h1-10,12-13,20H,11H2,(H,28,32)(H,29,31)(H2,26,33,34)/t20-/m1/s1
InChIKeyNHTLSJPCXWOLJQ-HXUWFJFHSA-N
XLogP4.02
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.95
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide 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 (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide?
The IUPAC name of (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide (CID 52940908) is (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide.
What is the SMILES notation for (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide?
The canonical SMILES for (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC=NN2C(=O)Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide?
The InChIKey is NHTLSJPCXWOLJQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19ClFN5O4S/c24-15-6-8-16(9-7-15)28-23(32)30-20(11-12-27-30)22(31)29-19-10-5-14(13-18(19)25)17-3-1-2-4-21(17)35(26,33)34/h1-10,12-13,20H,11H2,(H,28,32)(H,29,31)(H2,26,33,34)/t20-/m1/s1.
What are the key properties of (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide?
(3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide has a molecular weight of 515.95 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3,4-dihydropyrazole-2,3-dicarboxamide is sourced from PubChem (CID 52940908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).