N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide

C20H19NO3S — CID 3731751

IUPACN-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c22-20(18-9-5-2-6-10-18)15-21-25(23,24)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,20-22H,15H2
InChIKeyAYWQZKKTSIZOMI-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.37
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide

N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide (PubChem CID 3731751) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
PubChem CID3731751
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c22-20(18-9-5-2-6-10-18)15-21-25(23,24)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,20-22H,15H2
InChIKeyAYWQZKKTSIZOMI-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502422
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-[(2R)-2,4-dihydroxy-4-phenylbutyl]-4-(2-methylpropylamino)benzenesulfonamide
CID 175716954
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97248769
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide (CID 3731751) is N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide is O=S(=O)(NCC(O)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide?
The InChIKey is AYWQZKKTSIZOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-20(18-9-5-2-6-10-18)15-21-25(23,24)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,20-22H,15H2.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide?
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3731751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).