4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C14H16N2O3S — CID 1133828

IUPAC4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-9,16H,10,15H2,1H3
InChIKeyRSKLWIXTGFLDDB-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.76
Rot. Bonds5

About 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 1133828) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID1133828
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-9,16H,10,15H2,1H3
InChIKeyRSKLWIXTGFLDDB-UHFFFAOYSA-N
XLogP1.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
Pnu-177864
CID 9887351
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-amino-N-(3-methoxyphenyl)benzenesulfonamide
CID 16795336
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
N-(4-Methoxybenzylidene)-4-sulfamoylaniline
CID 625902
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
CID 788027
N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-[2-(4-methoxyphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 2886234
N-(3-fluoro-2-methylphenyl)-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919375

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 1133828) is 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is RSKLWIXTGFLDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-9,16H,10,15H2,1H3.
What are the key properties of 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 1133828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).