1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid

C23H26FN3O4S — CID 130302751

IUPAC1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1-c1c(C)n(C/C(F)=C/CN)c2ccc(C(=O)O)cc12
InChIInChI=1S/C23H26FN3O4S/c1-14-5-7-18(32(30,31)26(3)4)12-19(14)22-15(2)27(13-17(24)9-10-25)21-8-6-16(23(28)29)11-20(21)22/h5-9,11-12H,10,13,25H2,1-4H3,(H,28,29)/b17-9-
InChIKeyCWGVGNOSBIENPA-MFOYZWKCSA-N
MW459.54 g/mol
LogP3.69
Rot. Bonds7

About 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid

1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid (PubChem CID 130302751) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid
PubChem CID130302751
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1-c1c(C)n(C/C(F)=C/CN)c2ccc(C(=O)O)cc12
InChIInChI=1S/C23H26FN3O4S/c1-14-5-7-18(32(30,31)26(3)4)12-19(14)22-15(2)27(13-17(24)9-10-25)21-8-6-16(23(28)29)11-20(21)22/h5-9,11-12H,10,13,25H2,1-4H3,(H,28,29)/b17-9-
InChIKeyCWGVGNOSBIENPA-MFOYZWKCSA-N
XLogP3.69
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid?
The IUPAC name of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid (CID 130302751) is 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid.
What is the SMILES notation for 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid?
The canonical SMILES for 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid is Cc1ccc(S(=O)(=O)N(C)C)cc1-c1c(C)n(C/C(F)=C/CN)c2ccc(C(=O)O)cc12.
What is the InChIKey of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid?
The InChIKey is CWGVGNOSBIENPA-MFOYZWKCSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-14-5-7-18(32(30,31)26(3)4)12-19(14)22-15(2)27(13-17(24)9-10-25)21-8-6-16(23(28)29)11-20(21)22/h5-9,11-12H,10,13,25H2,1-4H3,(H,28,29)/b17-9-.
What are the key properties of 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid?
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid has a molecular weight of 459.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylindole-5-carboxylic acid is sourced from PubChem (CID 130302751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).