4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide

C20H20N2O3S — CID 100591331

IUPAC4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-25-19-11-9-18(10-12-19)22(15-16-5-3-2-4-6-16)26(23,24)20-13-7-17(21)8-14-20/h2-14H,15,21H2,1H3
InChIKeyCUNNBGVMWSMGHG-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.67
Rot. Bonds6

About 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide

4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 100591331) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID100591331
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-25-19-11-9-18(10-12-19)22(15-16-5-3-2-4-6-16)26(23,24)20-13-7-17(21)8-14-20/h2-14H,15,21H2,1H3
InChIKeyCUNNBGVMWSMGHG-UHFFFAOYSA-N
XLogP3.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
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

4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-benzyl-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56587385
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 55647315
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide (CID 100591331) is 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is CUNNBGVMWSMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-19-11-9-18(10-12-19)22(15-16-5-3-2-4-6-16)26(23,24)20-13-7-17(21)8-14-20/h2-14H,15,21H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide?
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 100591331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).