N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide

C11H16BrFN2O2S — CID 65193170

IUPACN-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H16BrFN2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(13)6-10(11)12/h4-6,9,15H,2-3,7,14H2,1H3
InChIKeyTYMFMIAKKAFJRB-UHFFFAOYSA-N
MW339.23 g/mol
LogP1.99
Rot. Bonds6

About N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide

N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide (PubChem CID 65193170) has the molecular formula C11H16BrFN2O2S and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
PubChem CID65193170
Molecular FormulaC11H16BrFN2O2S
Molecular Weight339.23 g/mol
Exact Mass338.01
IUPAC NameN-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H16BrFN2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(13)6-10(11)12/h4-6,9,15H,2-3,7,14H2,1H3
InChIKeyTYMFMIAKKAFJRB-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
CID 65193230
N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
CID 65192915
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
4-(2,4-difluorophenyl)-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254013

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide (CID 65193170) is N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide is CCCC(CN)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
The InChIKey is TYMFMIAKKAFJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(13)6-10(11)12/h4-6,9,15H,2-3,7,14H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide has a molecular weight of 339.23 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide is sourced from PubChem (CID 65193170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).