N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide

C13H21FN2O3S — CID 63290337

IUPACN-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-19-9-4-10-20(17,18)16(8-3-7-15)13-6-2-5-12(14)11-13/h2,5-6,11H,3-4,7-10,15H2,1H3
InChIKeyCSIACIRRSPQESS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.35
Rot. Bonds9

About N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide

N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide (PubChem CID 63290337) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
PubChem CID63290337
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-19-9-4-10-20(17,18)16(8-3-7-15)13-6-2-5-12(14)11-13/h2,5-6,11H,3-4,7-10,15H2,1H3
InChIKeyCSIACIRRSPQESS-UHFFFAOYSA-N
XLogP1.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylsulfonylmethanesulfonamide
CID 82839894
N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
CID 43136203
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
CID 55009877
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide
CID 55174195
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide
CID 64989721

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide (CID 63290337) is N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)N(CCCN)c1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is CSIACIRRSPQESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-19-9-4-10-20(17,18)16(8-3-7-15)13-6-2-5-12(14)11-13/h2,5-6,11H,3-4,7-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide?
N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).