4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide

C15H18N2O3S — CID 28546723

IUPAC4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(11-16)8-10-13/h3-10,17H,2,11,16H2,1H3
InChIKeyRFENSKKRGHBLBA-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.34
Rot. Bonds6

About 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide

4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide (PubChem CID 28546723) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
PubChem CID28546723
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(11-16)8-10-13/h3-10,17H,2,11,16H2,1H3
InChIKeyRFENSKKRGHBLBA-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 56690501
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29045454
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide (CID 28546723) is 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
The InChIKey is RFENSKKRGHBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(11-16)8-10-13/h3-10,17H,2,11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 28546723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).