N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide

C22H18FN3O3S — CID 59606922

IUPACN-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C22H18FN3O3S/c1-30(28,29)18-12-6-15(7-13-18)14-26-20-5-3-2-4-19(20)21(25-26)22(27)24-17-10-8-16(23)9-11-17/h2-13H,14H2,1H3,(H,24,27)
InChIKeyHTZMJGGZTORDSF-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.88
Rot. Bonds5

About N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide

N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide (PubChem CID 59606922) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide
PubChem CID59606922
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C22H18FN3O3S/c1-30(28,29)18-12-6-15(7-13-18)14-26-20-5-3-2-4-19(20)21(25-26)22(27)24-17-10-8-16(23)9-11-17/h2-13H,14H2,1H3,(H,24,27)
InChIKeyHTZMJGGZTORDSF-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide (CID 59606922) is N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide is CS(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide?
The InChIKey is HTZMJGGZTORDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-30(28,29)18-12-6-15(7-13-18)14-26-20-5-3-2-4-19(20)21(25-26)22(27)24-17-10-8-16(23)9-11-17/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide?
N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 59606922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).