1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide

C15H18N2O3S — CID 61125731

IUPAC1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-2-20-15-5-3-4-14(10-15)17-21(18,19)11-12-6-8-13(16)9-7-12/h3-10,17H,2,11,16H2,1H3
InChIKeySWVAMSLJZBGYFE-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.61
Rot. Bonds6

About 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide

1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide (PubChem CID 61125731) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide
PubChem CID61125731
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-2-20-15-5-3-4-14(10-15)17-21(18,19)11-12-6-8-13(16)9-7-12/h3-10,17H,2,11,16H2,1H3
InChIKeySWVAMSLJZBGYFE-UHFFFAOYSA-N
XLogP2.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide (CID 61125731) is 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide is CCOc1cccc(NS(=O)(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide?
The InChIKey is SWVAMSLJZBGYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-15-5-3-4-14(10-15)17-21(18,19)11-12-6-8-13(16)9-7-12/h3-10,17H,2,11,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide?
1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 61125731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).