N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 119983421

IUPACN-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
SMILESCCc1cccc(S(=O)(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-4-12-6-5-7-14(9-12)19(17,18)16-13(10-15)8-11(2)3;/h5-7,9,11,13,16H,4,8,10,15H2,1-3H3;1H
InChIKeyHXMIMFRWEXVAMZ-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.32
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride (PubChem CID 119983421) 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)-3-ethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
PubChem CID119983421
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
SMILESCCc1cccc(S(=O)(=O)NC(CN)CC(C)C)c1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-4-12-6-5-7-14(9-12)19(17,18)16-13(10-15)8-11(2)3;/h5-7,9,11,13,16H,4,8,10,15H2,1-3H3;1H
InChIKeyHXMIMFRWEXVAMZ-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119983345
3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119983448
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119983408
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242032
N-(1-amino-4-methylpentan-2-yl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 119983339

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride (CID 119983421) is N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride is CCc1cccc(S(=O)(=O)NC(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride?
The InChIKey is HXMIMFRWEXVAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-4-12-6-5-7-14(9-12)19(17,18)16-13(10-15)8-11(2)3;/h5-7,9,11,13,16H,4,8,10,15H2,1-3H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.32, 7 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)-3-ethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).