N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide

C12H19FN2O2S — CID 106154282

IUPACN-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-10(9-14)5-4-8-15-18(16,17)12-7-3-2-6-11(12)13/h2-3,6-7,10,15H,4-5,8-9,14H2,1H3
InChIKeyOMNJTTKTZHPTBX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.48
Rot. Bonds7

About N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide

N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide (PubChem CID 106154282) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
PubChem CID106154282
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-10(9-14)5-4-8-15-18(16,17)12-7-3-2-6-11(12)13/h2-3,6-7,10,15H,4-5,8-9,14H2,1H3
InChIKeyOMNJTTKTZHPTBX-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.48
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

4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
2-methyl-N'-(2-methylsulfonylphenyl)pentane-1,5-diamine
CID 114151164
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
CID 177376824
N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
N-[(3S)-3-aminobutyl]-3-fluoro-2-methylbenzenesulfonamide
CID 99819169
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
2-methyl-N'-[2-(trifluoromethylsulfonyl)phenyl]pentane-1,5-diamine
CID 106155437
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119499470
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide (CID 106154282) is N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide is CC(CN)CCCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide?
The InChIKey is OMNJTTKTZHPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-10(9-14)5-4-8-15-18(16,17)12-7-3-2-6-11(12)13/h2-3,6-7,10,15H,4-5,8-9,14H2,1H3.
What are the key properties of N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide?
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106154282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).