N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride

C26H33ClN2O3S — CID 19775329

IUPACN-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride
SMILESCN(Cc1ccc(NS(C)(=O)=O)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C26H32N2O3S.ClH/c1-26(2,28(3)19-21-15-17-24(18-16-21)27-32(4,29)30)20-31-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23;/h5-18,25,27H,19-20H2,1-4H3;1H
InChIKeyORJWPBCJKABEIO-UHFFFAOYSA-N
MW489.08 g/mol
LogP5.50
Rot. Bonds10

About N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride

N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 19775329) has the molecular formula C26H33ClN2O3S and a molecular weight of 489.08 g/mol. Its IUPAC name is N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID19775329
Molecular FormulaC26H33ClN2O3S
Molecular Weight489.08 g/mol
Exact Mass488.19
IUPAC NameN-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride
SMILESCN(Cc1ccc(NS(C)(=O)=O)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C26H32N2O3S.ClH/c1-26(2,28(3)19-21-15-17-24(18-16-21)27-32(4,29)30)20-31-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23;/h5-18,25,27H,19-20H2,1-4H3;1H
InChIKeyORJWPBCJKABEIO-UHFFFAOYSA-N
XLogP5.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.08
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride (CID 19775329) is N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride is CN(Cc1ccc(NS(C)(=O)=O)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is ORJWPBCJKABEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S.ClH/c1-26(2,28(3)19-21-15-17-24(18-16-21)27-32(4,29)30)20-31-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23;/h5-18,25,27H,19-20H2,1-4H3;1H.
What are the key properties of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride?
N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 489.08 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 19775329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).