methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate

C15H13FN2O4S2 — CID 167973247

IUPACmethyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C15H13FN2O4S2/c1-8-7-23-14(15(19)22-2)13(8)18-24(20,21)11-6-17-10-5-3-4-9(16)12(10)11/h3-7,17-18H,1-2H3
InChIKeyXZIIPYGYZXFGNU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.26
Rot. Bonds4

About methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate

methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate (PubChem CID 167973247) has the molecular formula C15H13FN2O4S2 and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
PubChem CID167973247
Molecular FormulaC15H13FN2O4S2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC Namemethyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C15H13FN2O4S2/c1-8-7-23-14(15(19)22-2)13(8)18-24(20,21)11-6-17-10-5-3-4-9(16)12(10)11/h3-7,17-18H,1-2H3
InChIKeyXZIIPYGYZXFGNU-UHFFFAOYSA-N
XLogP3.26
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate (CID 167973247) is methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NS(=O)(=O)c1c[nH]c2cccc(F)c12.
What is the InChIKey of methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The InChIKey is XZIIPYGYZXFGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S2/c1-8-7-23-14(15(19)22-2)13(8)18-24(20,21)11-6-17-10-5-3-4-9(16)12(10)11/h3-7,17-18H,1-2H3.
What are the key properties of methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 167973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).