5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide

C18H18FN3O3S — CID 110606781

IUPAC5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H18FN3O3S/c1-12-17(15-11-13(19)7-8-16(15)21-12)18(23)20-9-10-26(24,25)22-14-5-3-2-4-6-14/h2-8,11,21-22H,9-10H2,1H3,(H,20,23)
InChIKeyWGFFVTMISHPXRZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.79
Rot. Bonds6

About 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide

5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide (PubChem CID 110606781) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
PubChem CID110606781
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H18FN3O3S/c1-12-17(15-11-13(19)7-8-16(15)21-12)18(23)20-9-10-26(24,25)22-14-5-3-2-4-6-14/h2-8,11,21-22H,9-10H2,1H3,(H,20,23)
InChIKeyWGFFVTMISHPXRZ-UHFFFAOYSA-N
XLogP2.79
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide (CID 110606781) is 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is WGFFVTMISHPXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-12-17(15-11-13(19)7-8-16(15)21-12)18(23)20-9-10-26(24,25)22-14-5-3-2-4-6-14/h2-8,11,21-22H,9-10H2,1H3,(H,20,23).
What are the key properties of 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide?
5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 110606781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).