1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene

C14H24FN3O2S — CID 106000708

IUPAC1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene
SMILESCCNCCCN(C)S(=O)(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H24FN3O2S/c1-4-16-9-6-10-18(3)21(19,20)17-12(2)13-7-5-8-14(15)11-13/h5,7-8,11-12,16-17H,4,6,9-10H2,1-3H3
InChIKeyNTWWSLDVTLXKHZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.65
Rot. Bonds9

About 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene

1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene (PubChem CID 106000708) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene
PubChem CID106000708
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC Name1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene
SMILESCCNCCCN(C)S(=O)(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H24FN3O2S/c1-4-16-9-6-10-18(3)21(19,20)17-12(2)13-7-5-8-14(15)11-13/h5,7-8,11-12,16-17H,4,6,9-10H2,1-3H3
InChIKeyNTWWSLDVTLXKHZ-UHFFFAOYSA-N
XLogP1.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene
CID 71847521

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene?
The IUPAC name of 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene (CID 106000708) is 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene.
What is the SMILES notation for 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene?
The canonical SMILES for 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene is CCNCCCN(C)S(=O)(=O)NC(C)c1cccc(F)c1.
What is the InChIKey of 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene?
The InChIKey is NTWWSLDVTLXKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-4-16-9-6-10-18(3)21(19,20)17-12(2)13-7-5-8-14(15)11-13/h5,7-8,11-12,16-17H,4,6,9-10H2,1-3H3.
What are the key properties of 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene?
1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene has a molecular weight of 317.43 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene is sourced from PubChem (CID 106000708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).