N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide

C13H20BrFN2O2S — CID 119992402

IUPACN-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H20BrFN2O2S/c1-9(2)13(16)6-7-17(3)20(18,19)10-4-5-12(15)11(14)8-10/h4-5,8-9,13H,6-7,16H2,1-3H3
InChIKeyOACPJNDRZAGMHT-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.58
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide

N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 119992402) has the molecular formula C13H20BrFN2O2S and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
PubChem CID119992402
Molecular FormulaC13H20BrFN2O2S
Molecular Weight367.28 g/mol
Exact Mass366.04
IUPAC NameN-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H20BrFN2O2S/c1-9(2)13(16)6-7-17(3)20(18,19)10-4-5-12(15)11(14)8-10/h4-5,8-9,13H,6-7,16H2,1-3H3
InChIKeyOACPJNDRZAGMHT-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119992394
N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
CID 119992157
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119992236
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide (CID 119992402) is N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is OACPJNDRZAGMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O2S/c1-9(2)13(16)6-7-17(3)20(18,19)10-4-5-12(15)11(14)8-10/h4-5,8-9,13H,6-7,16H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide?
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 367.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 119992402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).