N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide

C21H22N2O3S — CID 68839024

IUPACN-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(N)c(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H22N2O3S/c1-23(27(24,25)19-10-6-3-7-11-19)15-18-12-13-20(22)21(14-18)26-16-17-8-4-2-5-9-17/h2-14H,15-16,22H2,1H3
InChIKeyJZAYXAQKAHUYQF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.67
Rot. Bonds7

About N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide

N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 68839024) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID68839024
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(N)c(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H22N2O3S/c1-23(27(24,25)19-10-6-3-7-11-19)15-18-12-13-20(22)21(14-18)26-16-17-8-4-2-5-9-17/h2-14H,15-16,22H2,1H3
InChIKeyJZAYXAQKAHUYQF-UHFFFAOYSA-N
XLogP3.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-nitro-3-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 68840966
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 29352136
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-phenoxybenzenesulfonamide
CID 38019730
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827
N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
CID 91359794
4-iodo-2-phenylmethoxyaniline
CID 66756754
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 42704317
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534310
benzyl 4-[3-[methyl-(4-methylphenyl)sulfonylamino]-2-oxopropyl]-2-phenylmethoxybenzoate
CID 148968405
N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 4990608

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 68839024) is N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccc(N)c(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is JZAYXAQKAHUYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-23(27(24,25)19-10-6-3-7-11-19)15-18-12-13-20(22)21(14-18)26-16-17-8-4-2-5-9-17/h2-14H,15-16,22H2,1H3.
What are the key properties of N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide?
N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 68839024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).