N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide

C21H21NO3S — CID 25041291

IUPACN-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-25-19-12-14-20(15-13-19)26(23,24)22-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21-22H,16H2,1H3
InChIKeyYVDVQBFOTDPHCE-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.81
Rot. Bonds7

About N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide

N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide (PubChem CID 25041291) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
PubChem CID25041291
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-25-19-12-14-20(15-13-19)26(23,24)22-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21-22H,16H2,1H3
InChIKeyYVDVQBFOTDPHCE-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
CID 101386257
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide (CID 25041291) is N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide?
The InChIKey is YVDVQBFOTDPHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-25-19-12-14-20(15-13-19)26(23,24)22-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21-22H,16H2,1H3.
What are the key properties of N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide?
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 25041291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).