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

C27H21ClFN5O3S — CID 134522051

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide
SMILESO=C(NCCS(=O)(=O)Nc1cccnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C27H21ClFN5O3S/c28-24-6-2-1-5-22(24)26-23-12-7-18(16-25(23)34(32-26)21-10-8-19(29)9-11-21)27(35)31-14-15-38(36,37)33-20-4-3-13-30-17-20/h1-13,16-17,33H,14-15H2,(H,31,35)
InChIKeyXAACTKNPOUVMEC-UHFFFAOYSA-N
MW550.02 g/mol
LogP5.05
Rot. Bonds8

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

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide (PubChem CID 134522051) has the molecular formula C27H21ClFN5O3S and a molecular weight of 550.02 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide
PubChem CID134522051
Molecular FormulaC27H21ClFN5O3S
Molecular Weight550.02 g/mol
Exact Mass549.10
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide
SMILESO=C(NCCS(=O)(=O)Nc1cccnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C27H21ClFN5O3S/c28-24-6-2-1-5-22(24)26-23-12-7-18(16-25(23)34(32-26)21-10-8-19(29)9-11-21)27(35)31-14-15-38(36,37)33-20-4-3-13-30-17-20/h1-13,16-17,33H,14-15H2,(H,31,35)
InChIKeyXAACTKNPOUVMEC-UHFFFAOYSA-N
XLogP5.05
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.02
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
CID 22978184
4-(2-chlorophenyl)-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
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(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 134135465
N-[1-(2,5-dichloro-4-pyridinyl)azetidin-3-yl]-2,3-dimethylindazole-6-carboxamide
CID 156010493
Pak1-IN-1
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6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-(cyclopropylmethyl)-1H-indazole-3-carboxamide
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6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide
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6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide
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6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 162672615
2-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide
CID 22978070
2-chloro-6-fluoro-N-[1-(3-trifluoromethylbenzenesulfonyl)-1H-pyrazolo[4,3-b]pyridin-6-yl]benzamide
CID 72203576
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide (CID 134522051) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide is O=C(NCCS(=O)(=O)Nc1cccnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide?
The InChIKey is XAACTKNPOUVMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN5O3S/c28-24-6-2-1-5-22(24)26-23-12-7-18(16-25(23)34(32-26)21-10-8-19(29)9-11-21)27(35)31-14-15-38(36,37)33-20-4-3-13-30-17-20/h1-13,16-17,33H,14-15H2,(H,31,35).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide has a molecular weight of 550.02 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[2-(pyridin-3-ylsulfamoyl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 134522051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).