2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide

C19H15FN2O5S — CID 118384376

IUPAC2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(O)c1c2ccn1S(C)(=O)=O
InChIInChI=1S/C19H15FN2O5S/c1-21-19(24)15-13-9-14(23)16-12(7-8-22(16)28(2,25)26)18(13)27-17(15)10-3-5-11(20)6-4-10/h3-9,23H,1-2H3,(H,21,24)
InChIKeyHCRCIBNPOBKWRB-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide

2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide (PubChem CID 118384376) has the molecular formula C19H15FN2O5S and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
PubChem CID118384376
Molecular FormulaC19H15FN2O5S
Molecular Weight402.40 g/mol
Exact Mass402.07
IUPAC Name2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(O)c1c2ccn1S(C)(=O)=O
InChIInChI=1S/C19H15FN2O5S/c1-21-19(24)15-13-9-14(23)16-12(7-8-22(16)28(2,25)26)18(13)27-17(15)10-3-5-11(20)6-4-10/h3-9,23H,1-2H3,(H,21,24)
InChIKeyHCRCIBNPOBKWRB-UHFFFAOYSA-N
XLogP3.07
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide (CID 118384376) is 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(O)c1c2ccn1S(C)(=O)=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide?
The InChIKey is HCRCIBNPOBKWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5S/c1-21-19(24)15-13-9-14(23)16-12(7-8-22(16)28(2,25)26)18(13)27-17(15)10-3-5-11(20)6-4-10/h3-9,23H,1-2H3,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide?
2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-hydroxy-N-methyl-6-methylsulfonylfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118384376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).