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

C29H24ClFN4O3S — CID 134522297

IUPACN-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C29H24ClFN4O3S/c30-26-9-5-4-8-24(26)28-25-15-10-21(18-27(25)35(34-28)23-13-11-22(31)12-14-23)29(36)32-16-17-39(37,38)33-19-20-6-2-1-3-7-20/h1-15,18,33H,16-17,19H2,(H,32,36)
InChIKeyDJIAWPGMWFKRBF-UHFFFAOYSA-N
MW563.05 g/mol
LogP5.33
Rot. Bonds9

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

N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522297) has the molecular formula C29H24ClFN4O3S and a molecular weight of 563.05 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522297
Molecular FormulaC29H24ClFN4O3S
Molecular Weight563.05 g/mol
Exact Mass562.12
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C29H24ClFN4O3S/c30-26-9-5-4-8-24(26)28-25-15-10-21(18-27(25)35(34-28)23-13-11-22(31)12-14-23)29(36)32-16-17-39(37,38)33-19-20-6-2-1-3-7-20/h1-15,18,33H,16-17,19H2,(H,32,36)
InChIKeyDJIAWPGMWFKRBF-UHFFFAOYSA-N
XLogP5.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.05
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522297) is N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide is O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is DJIAWPGMWFKRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClFN4O3S/c30-26-9-5-4-8-24(26)28-25-15-10-21(18-27(25)35(34-28)23-13-11-22(31)12-14-23)29(36)32-16-17-39(37,38)33-19-20-6-2-1-3-7-20/h1-15,18,33H,16-17,19H2,(H,32,36).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 563.05 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).