N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride

C12H19BrCl2N2O2S — CID 119983138

IUPACN-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C12H18BrClN2O2S.ClH/c1-8(2)5-10(7-15)16-19(17,18)12-4-3-9(13)6-11(12)14;/h3-4,6,8,10,16H,5,7,15H2,1-2H3;1H
InChIKeySPIDTGFULYCEED-UHFFFAOYSA-N
MW406.17 g/mol
LogP3.18
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride (PubChem CID 119983138) has the molecular formula C12H19BrCl2N2O2S and a molecular weight of 406.17 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
PubChem CID119983138
Molecular FormulaC12H19BrCl2N2O2S
Molecular Weight406.17 g/mol
Exact Mass403.97
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C12H18BrClN2O2S.ClH/c1-8(2)5-10(7-15)16-19(17,18)12-4-3-9(13)6-11(12)14;/h3-4,6,8,10,16H,5,7,15H2,1-2H3;1H
InChIKeySPIDTGFULYCEED-UHFFFAOYSA-N
XLogP3.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride (CID 119983138) is N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)c1ccc(Br)cc1Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is SPIDTGFULYCEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S.ClH/c1-8(2)5-10(7-15)16-19(17,18)12-4-3-9(13)6-11(12)14;/h3-4,6,8,10,16H,5,7,15H2,1-2H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 406.17 g/mol, XLogP of 3.18, 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-bromo-2-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).