2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide

C13H20FN3O3S — CID 106342576

IUPAC2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCCS(=O)(=O)NCC
InChIInChI=1S/C13H20FN3O3S/c1-3-15-12-10(6-5-7-11(12)14)13(18)16-8-9-21(19,20)17-4-2/h5-7,15,17H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyZFTHPXQUADDPKP-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.93
Rot. Bonds8

About 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide

2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide (PubChem CID 106342576) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
PubChem CID106342576
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCCS(=O)(=O)NCC
InChIInChI=1S/C13H20FN3O3S/c1-3-15-12-10(6-5-7-11(12)14)13(18)16-8-9-21(19,20)17-4-2/h5-7,15,17H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyZFTHPXQUADDPKP-UHFFFAOYSA-N
XLogP0.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylbenzamide
CID 106340919
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
N-[2-(ethylsulfamoyl)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 106337113
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide?
The IUPAC name of 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide (CID 106342576) is 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)NCCS(=O)(=O)NCC.
What is the InChIKey of 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide?
The InChIKey is ZFTHPXQUADDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-3-15-12-10(6-5-7-11(12)14)13(18)16-8-9-21(19,20)17-4-2/h5-7,15,17H,3-4,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide?
2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide has a molecular weight of 317.39 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 106342576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).