1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide

C15H18N2O3S — CID 62022053

IUPAC1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H18N2O3S/c1-17(10-12-6-3-5-9-15(12)18)21(19,20)11-13-7-2-4-8-14(13)16/h2-9,18H,10-11,16H2,1H3
InChIKeyGAYAHFATOHGEJA-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.94
Rot. Bonds5

About 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide

1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 62022053) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
PubChem CID62022053
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H18N2O3S/c1-17(10-12-6-3-5-9-15(12)18)21(19,20)11-13-7-2-4-8-14(13)16/h2-9,18H,10-11,16H2,1H3
InChIKeyGAYAHFATOHGEJA-UHFFFAOYSA-N
XLogP1.94
TPSA83.63 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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
1-(2-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 62022448
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
CID 62020724
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43458492

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide (CID 62022053) is 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide is CN(Cc1ccccc1O)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is GAYAHFATOHGEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(10-12-6-3-5-9-15(12)18)21(19,20)11-13-7-2-4-8-14(13)16/h2-9,18H,10-11,16H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.94, 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-hydroxyphenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 62022053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).