1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene

C11H18FN3O2S — CID 114803403

IUPAC1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
SMILESCCNS(=O)(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C11H18FN3O2S/c1-2-14-18(16,17)15(8-4-7-13)11-6-3-5-10(12)9-11/h3,5-6,9,14H,2,4,7-8,13H2,1H3
InChIKeyRXFGKOMEMFDEIL-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.84
Rot. Bonds7

About 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene

1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene (PubChem CID 114803403) has the molecular formula C11H18FN3O2S and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene.

Molecular Properties

Compound Name1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
PubChem CID114803403
Molecular FormulaC11H18FN3O2S
Molecular Weight275.35 g/mol
Exact Mass275.11
IUPAC Name1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
SMILESCCNS(=O)(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C11H18FN3O2S/c1-2-14-18(16,17)15(8-4-7-13)11-6-3-5-10(12)9-11/h3,5-6,9,14H,2,4,7-8,13H2,1H3
InChIKeyRXFGKOMEMFDEIL-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylsulfonylmethanesulfonamide
CID 82839894
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
CID 43136203
N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 63290337
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
CID 114813771
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
CID 43319058
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene?
The IUPAC name of 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene (CID 114803403) is 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene.
What is the SMILES notation for 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene?
The canonical SMILES for 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene is CCNS(=O)(=O)N(CCCN)c1cccc(F)c1.
What is the InChIKey of 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene?
The InChIKey is RXFGKOMEMFDEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2S/c1-2-14-18(16,17)15(8-4-7-13)11-6-3-5-10(12)9-11/h3,5-6,9,14H,2,4,7-8,13H2,1H3.
What are the key properties of 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene?
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene has a molecular weight of 275.35 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene is sourced from PubChem (CID 114803403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).