N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride

C10H16ClFN2O2S — CID 120582009

IUPACN-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
SMILESCC(CN)CNS(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8(6-12)7-13-16(14,15)10-4-2-3-9(11)5-10;/h2-5,8,13H,6-7,12H2,1H3;1H
InChIKeyNXJLDFTVNVRVCU-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.12
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120582009) has the molecular formula C10H16ClFN2O2S and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID120582009
Molecular FormulaC10H16ClFN2O2S
Molecular Weight282.77 g/mol
Exact Mass282.06
IUPAC NameN-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
SMILESCC(CN)CNS(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8(6-12)7-13-16(14,15)10-4-2-3-9(11)5-10;/h2-5,8,13H,6-7,12H2,1H3;1H
InChIKeyNXJLDFTVNVRVCU-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;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-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55102286
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
3-fluoro-N-propylbenzenesulfonamide
CID 43212857

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride (CID 120582009) is N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride is CC(CN)CNS(=O)(=O)c1cccc(F)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is NXJLDFTVNVRVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S.ClH/c1-8(6-12)7-13-16(14,15)10-4-2-3-9(11)5-10;/h2-5,8,13H,6-7,12H2,1H3;1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120582009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).