N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride

C10H16ClFN2O4S2 — CID 119050680

IUPACN-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCC(N)CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C10H15FN2O4S2.ClH/c1-7(12)6-13-19(16,17)8-3-4-10(9(11)5-8)18(2,14)15;/h3-5,7,13H,6,12H2,1-2H3;1H
InChIKeyNSYSIEZAGLACMJ-UHFFFAOYSA-N
MW346.83 g/mol
LogP0.28
Rot. Bonds5

About N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride

N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 119050680) has the molecular formula C10H16ClFN2O4S2 and a molecular weight of 346.83 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID119050680
Molecular FormulaC10H16ClFN2O4S2
Molecular Weight346.83 g/mol
Exact Mass346.02
IUPAC NameN-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCC(N)CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C10H15FN2O4S2.ClH/c1-7(12)6-13-19(16,17)8-3-4-10(9(11)5-8)18(2,14)15;/h3-5,7,13H,6,12H2,1-2H3;1H
InChIKeyNSYSIEZAGLACMJ-UHFFFAOYSA-N
XLogP0.28
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride 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-(3-aminobutyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 119972350
N-(3-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 119961970
3-fluoro-4-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716059
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide
CID 124628497
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119050679
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride (CID 119050680) is N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride is CC(N)CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1.Cl.
What is the InChIKey of N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is NSYSIEZAGLACMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S2.ClH/c1-7(12)6-13-19(16,17)8-3-4-10(9(11)5-8)18(2,14)15;/h3-5,7,13H,6,12H2,1-2H3;1H.
What are the key properties of N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119050680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).