4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide

C15H18N2O4S — CID 2330567

IUPAC4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)c(OC)c2)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-12-6-4-11(5-7-12)17-22(18,19)13-8-9-14(16)15(10-13)20-2/h4-10,17H,3,16H2,1-2H3
InChIKeyMGBMPGOYNNMOMC-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.48
Rot. Bonds6

About 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide

4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide (PubChem CID 2330567) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
PubChem CID2330567
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)c(OC)c2)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-12-6-4-11(5-7-12)17-22(18,19)13-8-9-14(16)15(10-13)20-2/h4-10,17H,3,16H2,1-2H3
InChIKeyMGBMPGOYNNMOMC-UHFFFAOYSA-N
XLogP2.48
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.48
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

4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
CID 62057274
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 81440404
1-(4-ethoxyphenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25039303
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide (CID 2330567) is 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(N)c(OC)c2)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide?
The InChIKey is MGBMPGOYNNMOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-3-21-12-6-4-11(5-7-12)17-22(18,19)13-8-9-14(16)15(10-13)20-2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide?
4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 2330567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).