1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide

C15H18N2O3S — CID 62020158

IUPAC1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)Cc2ccccc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-20-14-7-4-5-12(9-14)10-17-21(18,19)11-13-6-2-3-8-15(13)16/h2-9,17H,10-11,16H2,1H3
InChIKeyQLWXVMVHMFIRGL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.90
Rot. Bonds6

About 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide

1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 62020158) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
PubChem CID62020158
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)Cc2ccccc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-20-14-7-4-5-12(9-14)10-17-21(18,19)11-13-6-2-3-8-15(13)16/h2-9,17H,10-11,16H2,1H3
InChIKeyQLWXVMVHMFIRGL-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.90
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-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
CID 62021691
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
3-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropane-1-sulfonamide
CID 79585629
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 62020325
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide (CID 62020158) is 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide is COc1cccc(CNS(=O)(=O)Cc2ccccc2N)c1.
What is the InChIKey of 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is QLWXVMVHMFIRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-20-14-7-4-5-12(9-14)10-17-21(18,19)11-13-6-2-3-8-15(13)16/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide?
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 62020158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).