1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide

C15H18N2O3S — CID 62021691

IUPAC1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)Cc2ccccc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-17(13-7-5-8-14(10-13)20-2)21(18,19)11-12-6-3-4-9-15(12)16/h3-10H,11,16H2,1-2H3
InChIKeyZCSGXUYLSVTHKM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.24
Rot. Bonds5

About 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide

1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide (PubChem CID 62021691) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
PubChem CID62021691
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)Cc2ccccc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-17(13-7-5-8-14(10-13)20-2)21(18,19)11-12-6-3-4-9-15(12)16/h3-10H,11,16H2,1-2H3
InChIKeyZCSGXUYLSVTHKM-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110425472
2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide
CID 62002110
1-(2-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide
CID 62020349
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
1-(2-aminophenyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 112656646
2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63785861
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide (CID 62021691) is 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide is COc1cccc(N(C)S(=O)(=O)Cc2ccccc2N)c1.
What is the InChIKey of 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide?
The InChIKey is ZCSGXUYLSVTHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(13-7-5-8-14(10-13)20-2)21(18,19)11-12-6-3-4-9-15(12)16/h3-10H,11,16H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide?
1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 62021691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).