4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide

C23H26N2O3S — CID 70575937

IUPAC4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(O)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-24-29(27,28)22-14-12-21(13-15-22)23(26)18-25(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,23-24,26H,16-18H2,1H3
InChIKeyXVXABKYGBUZMMS-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.33
Rot. Bonds9

About 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide

4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide (PubChem CID 70575937) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide
PubChem CID70575937
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(O)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-24-29(27,28)22-14-12-21(13-15-22)23(26)18-25(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,23-24,26H,16-18H2,1H3
InChIKeyXVXABKYGBUZMMS-UHFFFAOYSA-N
XLogP3.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
1-(dibenzylamino)propane-2-sulfonic acid
CID 86077306
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol
CID 88812154
3-[[[hydroxy(phenyl)methyl]-methylamino]methyl]-N-methylbenzenesulfonamide
CID 134482302
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 96997911
2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
CID 42837186
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide (CID 70575937) is 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(O)CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide?
The InChIKey is XVXABKYGBUZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-24-29(27,28)22-14-12-21(13-15-22)23(26)18-25(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,23-24,26H,16-18H2,1H3.
What are the key properties of 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide?
4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 70575937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).