N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride

C19H28ClN3O5S2 — CID 14645125

IUPACN-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
SMILESCN(CCOc1ccccc1NS(C)(=O)=O)CCc1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C19H27N3O5S2.ClH/c1-22(13-12-16-8-10-17(11-9-16)20-28(2,23)24)14-15-27-19-7-5-4-6-18(19)21-29(3,25)26;/h4-11,20-21H,12-15H2,1-3H3;1H
InChIKeyQBHHWYURSKWSFF-UHFFFAOYSA-N
MW478.04 g/mol
LogP2.40
Rot. Bonds11

About N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride

N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 14645125) has the molecular formula C19H28ClN3O5S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID14645125
Molecular FormulaC19H28ClN3O5S2
Molecular Weight478.04 g/mol
Exact Mass477.12
IUPAC NameN-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
SMILESCN(CCOc1ccccc1NS(C)(=O)=O)CCc1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C19H27N3O5S2.ClH/c1-22(13-12-16-8-10-17(11-9-16)20-28(2,23)24)14-15-27-19-7-5-4-6-18(19)21-29(3,25)26;/h4-11,20-21H,12-15H2,1-3H3;1H
InChIKeyQBHHWYURSKWSFF-UHFFFAOYSA-N
XLogP2.40
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride (CID 14645125) is N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride is CN(CCOc1ccccc1NS(C)(=O)=O)CCc1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is QBHHWYURSKWSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S2.ClH/c1-22(13-12-16-8-10-17(11-9-16)20-28(2,23)24)14-15-27-19-7-5-4-6-18(19)21-29(3,25)26;/h4-11,20-21H,12-15H2,1-3H3;1H.
What are the key properties of N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride?
N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 478.04 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 14645125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).