N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide

C13H20BrFN2O2S — CID 115310013

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H20BrFN2O2S/c1-9(2)7-13(3,8-16)17-20(18,19)12-5-4-10(15)6-11(12)14/h4-6,9,17H,7-8,16H2,1-3H3
InChIKeyKSEZPJDZYLIURA-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.63
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide (PubChem CID 115310013) has the molecular formula C13H20BrFN2O2S and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
PubChem CID115310013
Molecular FormulaC13H20BrFN2O2S
Molecular Weight367.28 g/mol
Exact Mass366.04
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H20BrFN2O2S/c1-9(2)7-13(3,8-16)17-20(18,19)12-5-4-10(15)6-11(12)14/h4-6,9,17H,7-8,16H2,1-3H3
InChIKeyKSEZPJDZYLIURA-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
CID 119985170
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 115309880
N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 61133614
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119985163
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119985312
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide (CID 115310013) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
The InChIKey is KSEZPJDZYLIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O2S/c1-9(2)7-13(3,8-16)17-20(18,19)12-5-4-10(15)6-11(12)14/h4-6,9,17H,7-8,16H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide has a molecular weight of 367.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide is sourced from PubChem (CID 115310013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).