1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide

C23H21FN4O5S2 — CID 58138778

IUPAC1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O5S2/c1-25-35(32,33)18-9-3-15(4-10-18)13-26-23(29)20-11-19(34(2,30)31)12-22-21(20)14-27-28(22)17-7-5-16(24)6-8-17/h3-12,14,25H,13H2,1-2H3,(H,26,29)
InChIKeyVUWICPAGLOLEGS-UHFFFAOYSA-N
MW516.58 g/mol
LogP2.41
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide

1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide (PubChem CID 58138778) has the molecular formula C23H21FN4O5S2 and a molecular weight of 516.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide
PubChem CID58138778
Molecular FormulaC23H21FN4O5S2
Molecular Weight516.58 g/mol
Exact Mass516.09
IUPAC Name1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O5S2/c1-25-35(32,33)18-9-3-15(4-10-18)13-26-23(29)20-11-19(34(2,30)31)12-22-21(20)14-27-28(22)17-7-5-16(24)6-8-17/h3-12,14,25H,13H2,1-2H3,(H,26,29)
InChIKeyVUWICPAGLOLEGS-UHFFFAOYSA-N
XLogP2.41
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138794
1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45139039
N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 123317370
4-(aminomethyl)-N-methylbenzenesulfonamide;1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
CID 172762126
1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278142
1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 58222746
1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
1-(4-fluorophenyl)-N-[[4-[[methyl-(1-methylpiperidin-4-yl)sulfamoyl]methyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278387
1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 66917098
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
N-[[4-(cyclohexylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138160
2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate
CID 150312296

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide (CID 58138778) is 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide?
The InChIKey is VUWICPAGLOLEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O5S2/c1-25-35(32,33)18-9-3-15(4-10-18)13-26-23(29)20-11-19(34(2,30)31)12-22-21(20)14-27-28(22)17-7-5-16(24)6-8-17/h3-12,14,25H,13H2,1-2H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide has a molecular weight of 516.58 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-methylsulfonylindazole-4-carboxamide is sourced from PubChem (CID 58138778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).