methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate

C18H17FN2O4S — CID 666051

IUPACmethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C18H17FN2O4S/c1-10-4-7-15-13(8-10)16(17(20-15)18(22)25-3)21-26(23,24)12-5-6-14(19)11(2)9-12/h4-9,20-21H,1-3H3
InChIKeyWXISLKUKKUYPNZ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.51
Rot. Bonds4

About methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate

methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate (PubChem CID 666051) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate
PubChem CID666051
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Namemethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C18H17FN2O4S/c1-10-4-7-15-13(8-10)16(17(20-15)18(22)25-3)21-26(23,24)12-5-6-14(19)11(2)9-12/h4-9,20-21H,1-3H3
InChIKeyWXISLKUKKUYPNZ-UHFFFAOYSA-N
XLogP3.51
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate 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 methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate (CID 666051) is methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate?
The InChIKey is WXISLKUKKUYPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-10-4-7-15-13(8-10)16(17(20-15)18(22)25-3)21-26(23,24)12-5-6-14(19)11(2)9-12/h4-9,20-21H,1-3H3.
What are the key properties of methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate?
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 666051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).