N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane

C13H21FN2O2S — CID 153384825

IUPACN-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane
SMILESCCC.NC/C(=C\F)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13FN2O2S.C3H8/c11-6-9(7-12)8-13-16(14,15)10-4-2-1-3-5-10;1-3-2/h1-6,13H,7-8,12H2;3H2,1-2H3/b9-6+;
InChIKeyZFXJFKADCWHDSU-MLBSPLJJSA-N
MW288.39 g/mol
LogP2.19
Rot. Bonds5

About N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane

N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane (PubChem CID 153384825) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane.

Molecular Properties

Compound NameN-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane
PubChem CID153384825
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane
SMILESCCC.NC/C(=C\F)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13FN2O2S.C3H8/c11-6-9(7-12)8-13-16(14,15)10-4-2-1-3-5-10;1-3-2/h1-6,13H,7-8,12H2;3H2,1-2H3/b9-6+;
InChIKeyZFXJFKADCWHDSU-MLBSPLJJSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide
CID 166681059
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-ethylbenzenesulfonamide
CID 118117193
2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
CID 103308749
(E)-3-fluoro-2-[(3-methylphenyl)sulfonylmethyl]prop-2-en-1-amine
CID 170972349
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine
CID 170972345
N-[3-(aminomethyl)-3-ethylpentyl]benzenesulfonamide
CID 173233939
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
CID 167626658
N-tridecylbenzenesulfonamide
CID 3514704
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 8523115

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane?
The IUPAC name of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane (CID 153384825) is N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane.
What is the SMILES notation for N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane?
The canonical SMILES for N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane is CCC.NC/C(=C\F)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane?
The InChIKey is ZFXJFKADCWHDSU-MLBSPLJJSA-N. The full InChI is InChI=1S/C10H13FN2O2S.C3H8/c11-6-9(7-12)8-13-16(14,15)10-4-2-1-3-5-10;1-3-2/h1-6,13H,7-8,12H2;3H2,1-2H3/b9-6+;.
What are the key properties of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane?
N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane has a molecular weight of 288.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide;propane is sourced from PubChem (CID 153384825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).