N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide

C14H16N2O4S — CID 17217527

IUPACN-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N)c2)cc1OC
InChIInChI=1S/C14H16N2O4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,15H2,1-2H3
InChIKeyZSTVTFQVAZBZSG-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds5

About N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide

N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 17217527) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID17217527
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N)c2)cc1OC
InChIInChI=1S/C14H16N2O4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,15H2,1-2H3
InChIKeyZSTVTFQVAZBZSG-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-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
3-[(4-amino-3-methoxyphenyl)sulfonylamino]benzenesulfonic acid
CID 54467936
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
3-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(4-phenylphenyl)benzenesulfonamide;4-phenylaniline
CID 160749115
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 53283048

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide (CID 17217527) is N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(N)c2)cc1OC.
What is the InChIKey of N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is ZSTVTFQVAZBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,15H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide?
N-(3-aminophenyl)-3,4-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-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 17217527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).