N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide

C22H21NO4S — CID 102105772

IUPACN-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c1-17-12-14-20(15-13-17)28(26,27)23(22(25)19-10-6-3-7-11-19)16-21(24)18-8-4-2-5-9-18/h2-15,21,24H,16H2,1H3
InChIKeyORKLBOGGAMSHIA-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.56
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide

N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 102105772) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID102105772
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c1-17-12-14-20(15-13-17)28(26,27)23(22(25)19-10-6-3-7-11-19)16-21(24)18-8-4-2-5-9-18/h2-15,21,24H,16H2,1H3
InChIKeyORKLBOGGAMSHIA-UHFFFAOYSA-N
XLogP3.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
N-(3-chloro-2-hydroxypropyl)-N-[(E)-1-chloro-2-iodo-2-phenylethenyl]-4-methylbenzenesulfonamide
CID 155490548
4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide
CID 102598830
N-[(3,4-dimethoxyphenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methylbenzenesulfonamide
CID 139041059
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
CID 92534233
N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide
CID 14194446
N-[(1S)-2-(4-methylphenyl)sulfonyl-1-phenylethoxy]-N-phenylbenzamide
CID 162413855
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
(2S)-4-hydroxy-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
CID 23257276

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide (CID 102105772) is N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N(CC(O)c2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is ORKLBOGGAMSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-17-12-14-20(15-13-17)28(26,27)23(22(25)19-10-6-3-7-11-19)16-21(24)18-8-4-2-5-9-18/h2-15,21,24H,16H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide?
N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 102105772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).