N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide

C14H16N2O4S — CID 43605524

IUPACN-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2N)c1
InChIInChI=1S/C14H16N2O4S/c1-19-10-7-8-13(20-2)14(9-10)21(17,18)16-12-6-4-3-5-11(12)15/h3-9,16H,15H2,1-2H3
InChIKeyVDRNOMJESNPZOM-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds5

About N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide

N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 43605524) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID43605524
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2N)c1
InChIInChI=1S/C14H16N2O4S/c1-19-10-7-8-13(20-2)14(9-10)21(17,18)16-12-6-4-3-5-11(12)15/h3-9,16H,15H2,1-2H3
InChIKeyVDRNOMJESNPZOM-UHFFFAOYSA-N
XLogP2.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
2,5-dimethoxy-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 22433922
N-(2-cyclopentylsulfanylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 55617061
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
CID 58565637
N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 110732213
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 7938855

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide (CID 43605524) is N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2N)c1.
What is the InChIKey of N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is VDRNOMJESNPZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-10-7-8-13(20-2)14(9-10)21(17,18)16-12-6-4-3-5-11(12)15/h3-9,16H,15H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide?
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 43605524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).