N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide

C12H19BrN2O2S — CID 63887954

IUPACN-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2O2S/c1-9(2)7-11(8-14)15-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,15H,7-8,14H2,1-2H3
InChIKeyZPWTYLPKCIGMME-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.10
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide

N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide (PubChem CID 63887954) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
PubChem CID63887954
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2O2S/c1-9(2)7-11(8-14)15-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,15H,7-8,14H2,1-2H3
InChIKeyZPWTYLPKCIGMME-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119983408
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119983396
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
CID 119983247
N-(1-amino-4-methylpentan-2-yl)-4-cyano-3-methylbenzenesulfonamide
CID 106920558

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide (CID 63887954) is N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide is CC(C)CC(CN)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide?
The InChIKey is ZPWTYLPKCIGMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-9(2)7-11(8-14)15-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,15H,7-8,14H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide is sourced from PubChem (CID 63887954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).