4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide

C15H18N2O3S — CID 81440806

IUPAC4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1N
InChIInChI=1S/C15H18N2O3S/c1-11-4-3-5-12(8-11)10-17-21(18,19)13-6-7-14(16)15(9-13)20-2/h3-9,17H,10,16H2,1-2H3
InChIKeyQXCICAKFOPTWON-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.06
Rot. Bonds5

About 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide

4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 81440806) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID81440806
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1N
InChIInChI=1S/C15H18N2O3S/c1-11-4-3-5-12(8-11)10-17-21(18,19)13-6-7-14(16)15(9-13)20-2/h3-9,17H,10,16H2,1-2H3
InChIKeyQXCICAKFOPTWON-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.06
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

3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
3-amino-N-[(3-bromophenyl)methyl]-4-methoxybenzenesulfonamide
CID 61400840
2-methoxy-5-[(3-methylphenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 53283069
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 81441299
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
3-amino-4-fluoro-5-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 115421305
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 81440806) is 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide is COc1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is QXCICAKFOPTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-4-3-5-12(8-11)10-17-21(18,19)13-6-7-14(16)15(9-13)20-2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 81440806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).