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

C14H25ClN2O2S — CID 119983252

IUPACN-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC(CN)CC(C)C)c(C)c1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-10(2)7-13(9-15)16-19(17,18)14-6-5-11(3)8-12(14)4;/h5-6,8,10,13,16H,7,9,15H2,1-4H3;1H
InChIKeyFXISHCAAKCQYCT-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.38
Rot. Bonds6

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

N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119983252) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119983252
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC(CN)CC(C)C)c(C)c1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-10(2)7-13(9-15)16-19(17,18)14-6-5-11(3)8-12(14)4;/h5-6,8,10,13,16H,7,9,15H2,1-4H3;1H
InChIKeyFXISHCAAKCQYCT-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-4-methylpentan-2-yl]-4-cyano-2-methylbenzenesulfonamide
CID 97238595
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide
CID 119983418
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119983219
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride (CID 119983252) is N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC(CN)CC(C)C)c(C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is FXISHCAAKCQYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-10(2)7-13(9-15)16-19(17,18)14-6-5-11(3)8-12(14)4;/h5-6,8,10,13,16H,7,9,15H2,1-4H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.38, 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)-2,4-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).