4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide

C15H18N2O3S — CID 43258003

IUPAC4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-17(11-12-6-4-3-5-7-12)21(18,19)15-9-8-13(16)10-14(15)20-2/h3-10H,11,16H2,1-2H3
InChIKeyDYMIVGGMEKCBEZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds5

About 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide

4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 43258003) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
PubChem CID43258003
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-17(11-12-6-4-3-5-7-12)21(18,19)15-9-8-13(16)10-14(15)20-2/h3-10H,11,16H2,1-2H3
InChIKeyDYMIVGGMEKCBEZ-UHFFFAOYSA-N
XLogP2.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
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

5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
CID 43256233
4-benzylsulfonyl-3-methoxyaniline
CID 81207616
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61126734
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
N-[(3,5-dichlorophenyl)methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 166187697
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide (CID 43258003) is 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is DYMIVGGMEKCBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(11-12-6-4-3-5-7-12)21(18,19)15-9-8-13(16)10-14(15)20-2/h3-10H,11,16H2,1-2H3.
What are the key properties of 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide?
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 43258003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).