5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide

C23H28FN3O3S — CID 86936375

IUPAC5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
SMILESCCc1cccc2c(CCNC(=O)c3cc(S(=O)(=O)N(CC)CC)ccc3F)c[nH]c12
InChIInChI=1S/C23H28FN3O3S/c1-4-16-8-7-9-19-17(15-26-22(16)19)12-13-25-23(28)20-14-18(10-11-21(20)24)31(29,30)27(5-2)6-3/h7-11,14-15,26H,4-6,12-13H2,1-3H3,(H,25,28)
InChIKeyCEMMYTZNWZTDMV-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.87
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide

5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide (PubChem CID 86936375) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
PubChem CID86936375
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC Name5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
SMILESCCc1cccc2c(CCNC(=O)c3cc(S(=O)(=O)N(CC)CC)ccc3F)c[nH]c12
InChIInChI=1S/C23H28FN3O3S/c1-4-16-8-7-9-19-17(15-26-22(16)19)12-13-25-23(28)20-14-18(10-11-21(20)24)31(29,30)27(5-2)6-3/h7-11,14-15,26H,4-6,12-13H2,1-3H3,(H,25,28)
InChIKeyCEMMYTZNWZTDMV-UHFFFAOYSA-N
XLogP3.87
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide (CID 86936375) is 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide is CCc1cccc2c(CCNC(=O)c3cc(S(=O)(=O)N(CC)CC)ccc3F)c[nH]c12.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
The InChIKey is CEMMYTZNWZTDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c1-4-16-8-7-9-19-17(15-26-22(16)19)12-13-25-23(28)20-14-18(10-11-21(20)24)31(29,30)27(5-2)6-3/h7-11,14-15,26H,4-6,12-13H2,1-3H3,(H,25,28).
What are the key properties of 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide?
5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide has a molecular weight of 445.56 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 86936375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).