1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide

C15H18N2O3S — CID 62020535

IUPAC1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H18N2O3S/c1-11-7-8-14(15(9-11)20-2)17-21(18,19)10-12-5-3-4-6-13(12)16/h3-9,17H,10,16H2,1-2H3
InChIKeyCGSHFXZSQRHFNH-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.53
Rot. Bonds5

About 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide

1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide (PubChem CID 62020535) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide
PubChem CID62020535
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide
SMILESCOc1cc(C)ccc1NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H18N2O3S/c1-11-7-8-14(15(9-11)20-2)17-21(18,19)10-12-5-3-4-6-13(12)16/h3-9,17H,10,16H2,1-2H3
InChIKeyCGSHFXZSQRHFNH-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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

1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 62021830
(2-methoxy-4-methylphenyl)sulfamic acid
CID 57354125
2-[(2-methoxyphenyl)methylsulfonyl]-4-methylaniline
CID 81183316
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 62021843
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 62019955

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide (CID 62020535) is 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide is COc1cc(C)ccc1NS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide?
The InChIKey is CGSHFXZSQRHFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-7-8-14(15(9-11)20-2)17-21(18,19)10-12-5-3-4-6-13(12)16/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide?
1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2-methoxy-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 62020535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).