2-amino-N-(4-methoxyphenyl)benzenesulfinamide

C13H14N2O2S — CID 143020889

IUPAC2-amino-N-(4-methoxyphenyl)benzenesulfinamide
SMILESCOc1ccc(NS(=O)c2ccccc2N)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-8-6-10(7-9-11)15-18(16)13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3
InChIKeyVFKMVFSTKHPGDP-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-N-(4-methoxyphenyl)benzenesulfinamide

2-amino-N-(4-methoxyphenyl)benzenesulfinamide (PubChem CID 143020889) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-amino-N-(4-methoxyphenyl)benzenesulfinamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxyphenyl)benzenesulfinamide
PubChem CID143020889
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-amino-N-(4-methoxyphenyl)benzenesulfinamide
SMILESCOc1ccc(NS(=O)c2ccccc2N)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-8-6-10(7-9-11)15-18(16)13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3
InChIKeyVFKMVFSTKHPGDP-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-methyl-N-phenylbenzenesulfinamide
CID 21135236
3-(4-methoxyphenyl)sulfinamoyl-4-methyl-N-(2-methylphenyl)benzamide
CID 143108442
N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
CID 39967717
1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene
CID 54141547
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
4-methoxy-2-(3-phenylpropylsulfinyl)aniline
CID 81206569
2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40512822
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
2-amino-N-pentylbenzenesulfinamide;ethane
CID 143020857
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
2-[3-(4-methoxyphenyl)sulfinylpropoxy]aniline
CID 61302811

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxyphenyl)benzenesulfinamide?
The IUPAC name of 2-amino-N-(4-methoxyphenyl)benzenesulfinamide (CID 143020889) is 2-amino-N-(4-methoxyphenyl)benzenesulfinamide.
What is the SMILES notation for 2-amino-N-(4-methoxyphenyl)benzenesulfinamide?
The canonical SMILES for 2-amino-N-(4-methoxyphenyl)benzenesulfinamide is COc1ccc(NS(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-amino-N-(4-methoxyphenyl)benzenesulfinamide?
The InChIKey is VFKMVFSTKHPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-11-8-6-10(7-9-11)15-18(16)13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3.
What are the key properties of 2-amino-N-(4-methoxyphenyl)benzenesulfinamide?
2-amino-N-(4-methoxyphenyl)benzenesulfinamide has a molecular weight of 262.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxyphenyl)benzenesulfinamide is sourced from PubChem (CID 143020889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).