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

C12H20Cl2N2O2S — CID 119983371

IUPACN-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-9(2)7-10(8-14)15-18(16,17)12-6-4-3-5-11(12)13;/h3-6,9-10,15H,7-8,14H2,1-2H3;1H
InChIKeyMKNIDKDZJPVUKY-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.41
Rot. Bonds6

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

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride (PubChem CID 119983371) has the molecular formula C12H20Cl2N2O2S and a molecular weight of 327.28 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
PubChem CID119983371
Molecular FormulaC12H20Cl2N2O2S
Molecular Weight327.28 g/mol
Exact Mass326.06
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-9(2)7-10(8-14)15-18(16,17)12-6-4-3-5-11(12)13;/h3-6,9-10,15H,7-8,14H2,1-2H3;1H
InChIKeyMKNIDKDZJPVUKY-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 119983283

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride (CID 119983371) is N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)c1ccccc1Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is MKNIDKDZJPVUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S.ClH/c1-9(2)7-10(8-14)15-18(16,17)12-6-4-3-5-11(12)13;/h3-6,9-10,15H,7-8,14H2,1-2H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 327.28 g/mol, XLogP of 2.41, 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)-2-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).