1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide

C22H18FN3O3S — CID 166984921

IUPAC1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C22H18FN3O3S/c1-15-5-4-6-18(13-15)30(28,29)25-22(27)21-19-7-2-3-8-20(19)26(24-21)14-16-9-11-17(23)12-10-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyCRMHMOIRINSRPL-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.65
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide (PubChem CID 166984921) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
PubChem CID166984921
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C22H18FN3O3S/c1-15-5-4-6-18(13-15)30(28,29)25-22(27)21-19-7-2-3-8-20(19)26(24-21)14-16-9-11-17(23)12-10-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyCRMHMOIRINSRPL-UHFFFAOYSA-N
XLogP3.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide (CID 166984921) is 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(F)cc3)c3ccccc23)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide?
The InChIKey is CRMHMOIRINSRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-15-5-4-6-18(13-15)30(28,29)25-22(27)21-19-7-2-3-8-20(19)26(24-21)14-16-9-11-17(23)12-10-16/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide is sourced from PubChem (CID 166984921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).