3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide

C17H21NO5S — CID 4828136

IUPAC3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H21NO5S/c1-4-11-23-15-8-6-5-7-14(15)18-24(19,20)13-9-10-16(21-2)17(12-13)22-3/h5-10,12,18H,4,11H2,1-3H3
InChIKeyYWTQQAUQRUSQBV-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.29
Rot. Bonds8

About 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide

3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide (PubChem CID 4828136) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
PubChem CID4828136
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H21NO5S/c1-4-11-23-15-8-6-5-7-14(15)18-24(19,20)13-9-10-16(21-2)17(12-13)22-3/h5-10,12,18H,4,11H2,1-3H3
InChIKeyYWTQQAUQRUSQBV-UHFFFAOYSA-N
XLogP3.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethoxy-N-(2-propoxyphenyl)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-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide
CID 24553526
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide (CID 4828136) is 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide is CCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide?
The InChIKey is YWTQQAUQRUSQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-4-11-23-15-8-6-5-7-14(15)18-24(19,20)13-9-10-16(21-2)17(12-13)22-3/h5-10,12,18H,4,11H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide?
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4828136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).