N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide

C22H23NO3S — CID 134955383

IUPACN-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-7-14-21(15-8-17)27(25,26)23-22(19-10-12-20(24)13-11-19)16-9-18-5-3-2-4-6-18/h2-8,10-15,22-24H,9,16H2,1H3/t22-/m1/s1
InChIKeySHUGTAFKSHFSBK-JOCHJYFZSA-N
MW381.50 g/mol
LogP4.35
Rot. Bonds7

About N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide

N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 134955383) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID134955383
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-7-14-21(15-8-17)27(25,26)23-22(19-10-12-20(24)13-11-19)16-9-18-5-3-2-4-6-18/h2-8,10-15,22-24H,9,16H2,1H3/t22-/m1/s1
InChIKeySHUGTAFKSHFSBK-JOCHJYFZSA-N
XLogP4.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
CID 156775731
[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate
CID 4843468
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
CID 156775716
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide (CID 134955383) is N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is SHUGTAFKSHFSBK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-17-7-14-21(15-8-17)27(25,26)23-22(19-10-12-20(24)13-11-19)16-9-18-5-3-2-4-6-18/h2-8,10-15,22-24H,9,16H2,1H3/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134955383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).