N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 120711865

IUPACN-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-4-12-9-7-8-10-13(12)19(17,18)16-11-14(15,5-2)6-3;/h7-10,16H,4-6,11,15H2,1-3H3;1H
InChIKeyXCUDWUUHHJPGOM-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.47
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride (PubChem CID 120711865) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
PubChem CID120711865
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-4-12-9-7-8-10-13(12)19(17,18)16-11-14(15,5-2)6-3;/h7-10,16H,4-6,11,15H2,1-3H3;1H
InChIKeyXCUDWUUHHJPGOM-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943
N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711544
2-ethyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide
CID 127266845
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
CID 119989897
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride (CID 120711865) is N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride is CCc1ccccc1S(=O)(=O)NCC(N)(CC)CC.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride?
The InChIKey is XCUDWUUHHJPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-4-12-9-7-8-10-13(12)19(17,18)16-11-14(15,5-2)6-3;/h7-10,16H,4-6,11,15H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).