N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride

C10H16ClFN2O2S — CID 120582028

IUPACN-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
SMILESCC(CN)CNS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8(6-12)7-13-16(14,15)10-4-2-9(11)3-5-10;/h2-5,8,13H,6-7,12H2,1H3;1H
InChIKeyLASHXFSQTJUBDU-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.12
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120582028) has the molecular formula C10H16ClFN2O2S and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
PubChem CID120582028
Molecular FormulaC10H16ClFN2O2S
Molecular Weight282.77 g/mol
Exact Mass282.06
IUPAC NameN-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
SMILESCC(CN)CNS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8(6-12)7-13-16(14,15)10-4-2-9(11)3-5-10;/h2-5,8,13H,6-7,12H2,1H3;1H
InChIKeyLASHXFSQTJUBDU-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

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Related Compounds

N-(3-chloro-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 65036723
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
N-[(2S)-3-amino-2-methylpropyl]-4-(dimethylamino)benzenesulfonamide
CID 139490777
N-(4-chloro-2-methylbutyl)-4-fluorobenzenesulfonamide
CID 66092046
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936683

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride (CID 120582028) is N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride is CC(CN)CNS(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is LASHXFSQTJUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S.ClH/c1-8(6-12)7-13-16(14,15)10-4-2-9(11)3-5-10;/h2-5,8,13H,6-7,12H2,1H3;1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-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)-4-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120582028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).