3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide

C22H18ClFN4O3S — CID 134522732

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H18ClFN4O3S/c23-19-4-2-1-3-17(19)21-18-10-5-14(22(29)26-11-12-32(25,30)31)13-20(18)28(27-21)16-8-6-15(24)7-9-16/h1-10,13H,11-12H2,(H,26,29)(H2,25,30,31)
InChIKeyYCFMIVNQCDCPNF-UHFFFAOYSA-N
MW472.93 g/mol
LogP3.50
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide (PubChem CID 134522732) has the molecular formula C22H18ClFN4O3S and a molecular weight of 472.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide
PubChem CID134522732
Molecular FormulaC22H18ClFN4O3S
Molecular Weight472.93 g/mol
Exact Mass472.08
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H18ClFN4O3S/c23-19-4-2-1-3-17(19)21-18-10-5-14(22(29)26-11-12-32(25,30)31)13-20(18)28(27-21)16-8-6-15(24)7-9-16/h1-10,13H,11-12H2,(H,26,29)(H2,25,30,31)
InChIKeyYCFMIVNQCDCPNF-UHFFFAOYSA-N
XLogP3.50
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-N-cyclopropylsulfonylindazole-3,6-dicarboxamide
CID 118322352
6-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide
CID 130299712
1-[2-[[2-[3-(2-Chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300111
US11104690, Example 40
CID 134522042
US11104690, Example 86
CID 134522043
US11104690, Example 89
CID 134522045
US11104690, Example 60
CID 134522051
US11104690, Example 21
CID 134522059
US11104690, Example 32
CID 134522066
US11104690, Example 64
CID 134522116
US11104690, Example 52
CID 134522134
US11104690, Example 46
CID 134522136

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide (CID 134522732) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide is NS(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide?
The InChIKey is YCFMIVNQCDCPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O3S/c23-19-4-2-1-3-17(19)21-18-10-5-14(22(29)26-11-12-32(25,30)31)13-20(18)28(27-21)16-8-6-15(24)7-9-16/h1-10,13H,11-12H2,(H,26,29)(H2,25,30,31).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)indazole-6-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 3.50, 6 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-sulfamoylethyl)indazole-6-carboxamide is sourced from PubChem (CID 134522732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).