1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride

C12H20ClFN2O2S — CID 120716079

IUPAC1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C12H19FN2O2S.ClH/c1-2-7-14-8-9-15-18(16,17)10-11-3-5-12(13)6-4-11;/h3-6,14-15H,2,7-10H2,1H3;1H
InChIKeyZVXVJZFNVDRPKQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.67
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride

1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride (PubChem CID 120716079) has the molecular formula C12H20ClFN2O2S and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
PubChem CID120716079
Molecular FormulaC12H20ClFN2O2S
Molecular Weight310.82 g/mol
Exact Mass310.09
IUPAC Name1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C12H19FN2O2S.ClH/c1-2-7-14-8-9-15-18(16,17)10-11-3-5-12(13)6-4-11;/h3-6,14-15H,2,7-10H2,1H3;1H
InChIKeyZVXVJZFNVDRPKQ-UHFFFAOYSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.67
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

1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
1-(3-chloro-4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 120875993
4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
N-[2-(propylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120715926
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide
CID 118327460
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride (CID 120716079) is 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)Cc1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride?
The InChIKey is ZVXVJZFNVDRPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S.ClH/c1-2-7-14-8-9-15-18(16,17)10-11-3-5-12(13)6-4-11;/h3-6,14-15H,2,7-10H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride?
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120716079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).