N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride

C14H25ClN2O5S2 — CID 119988125

IUPACN-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H24N2O5S2.ClH/c1-4-22(17,18)10-9-21-12-5-7-13(8-6-12)23(19,20)16-11-14(2,3)15;/h5-8,16H,4,9-11,15H2,1-3H3;1H
InChIKeyYONUXZIAAUNKSQ-UHFFFAOYSA-N
MW400.95 g/mol
LogP0.94
Rot. Bonds9

About N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119988125) has the molecular formula C14H25ClN2O5S2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
PubChem CID119988125
Molecular FormulaC14H25ClN2O5S2
Molecular Weight400.95 g/mol
Exact Mass400.09
IUPAC NameN-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H24N2O5S2.ClH/c1-4-22(17,18)10-9-21-12-5-7-13(8-6-12)23(19,20)16-11-14(2,3)15;/h5-8,16H,4,9-11,15H2,1-3H3;1H
InChIKeyYONUXZIAAUNKSQ-UHFFFAOYSA-N
XLogP0.94
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
CID 119989827
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-(3-aminopropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119962062
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride (CID 119988125) is N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride is CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is YONUXZIAAUNKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S2.ClH/c1-4-22(17,18)10-9-21-12-5-7-13(8-6-12)23(19,20)16-11-14(2,3)15;/h5-8,16H,4,9-11,15H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).