3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide

C28H22ClFN4O3S — CID 134523255

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C28H22ClFN4O3S/c29-25-9-5-4-8-23(25)27-24-15-10-19(18-26(24)34(32-27)22-13-11-20(30)12-14-22)28(35)31-16-17-38(36,37)33-21-6-2-1-3-7-21/h1-15,18,33H,16-17H2,(H,31,35)
InChIKeyNCICWTSOSRBMPB-UHFFFAOYSA-N
MW549.03 g/mol
LogP5.66
Rot. Bonds8

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide (PubChem CID 134523255) has the molecular formula C28H22ClFN4O3S and a molecular weight of 549.03 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide
PubChem CID134523255
Molecular FormulaC28H22ClFN4O3S
Molecular Weight549.03 g/mol
Exact Mass548.11
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C28H22ClFN4O3S/c29-25-9-5-4-8-23(25)27-24-15-10-19(18-26(24)34(32-27)22-13-11-20(30)12-14-22)28(35)31-16-17-38(36,37)33-21-6-2-1-3-7-21/h1-15,18,33H,16-17H2,(H,31,35)
InChIKeyNCICWTSOSRBMPB-UHFFFAOYSA-N
XLogP5.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.03
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide 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-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide (CID 134523255) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide is O=C(NCCS(=O)(=O)Nc1ccccc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide?
The InChIKey is NCICWTSOSRBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN4O3S/c29-25-9-5-4-8-23(25)27-24-15-10-19(18-26(24)34(32-27)22-13-11-20(30)12-14-22)28(35)31-16-17-38(36,37)33-21-6-2-1-3-7-21/h1-15,18,33H,16-17H2,(H,31,35).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide has a molecular weight of 549.03 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(phenylsulfamoyl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 134523255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).