N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide

C21H22N2O3S — CID 67358765

IUPACN-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
SMILESCNC(CO)c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H22N2O3S/c1-22-21(15-24)18-8-5-9-19(14-18)23-27(25,26)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-14,21-24H,15H2,1H3
InChIKeyWYYDOCQHZYJZKK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.41
Rot. Bonds7

About N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide

N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide (PubChem CID 67358765) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
PubChem CID67358765
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
SMILESCNC(CO)c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H22N2O3S/c1-22-21(15-24)18-8-5-9-19(14-18)23-27(25,26)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-14,21-24H,15H2,1H3
InChIKeyWYYDOCQHZYJZKK-UHFFFAOYSA-N
XLogP3.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
CID 25046021
4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide
CID 167853547
4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide
CID 63183034
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
4-(4-chloro-2-fluorophenyl)-N-[4-[[[1-[3-[[4-(5-chloro-2-pyridinyl)phenyl]sulfonylamino]phenyl]-2-hydroxyethyl]amino]methyl]-3-[2-hydroxy-1-(methylamino)ethyl]phenyl]benzenesulfonamide
CID 90847581
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide
CID 134478846
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
3-[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]-3-[(4-phenylbenzoyl)amino]propanoic acid
CID 70188246
N,3-diphenylbenzenesulfonamide
CID 54513984

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide (CID 67358765) is N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide is CNC(CO)c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide?
The InChIKey is WYYDOCQHZYJZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-22-21(15-24)18-8-5-9-19(14-18)23-27(25,26)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-14,21-24H,15H2,1H3.
What are the key properties of N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide?
N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 67358765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).