N-(2,5-dimethoxyphenyl)propane-1-sulfonamide

C11H17NO4S — CID 60640726

IUPACN-(2,5-dimethoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C11H17NO4S/c1-4-7-17(13,14)12-10-8-9(15-2)5-6-11(10)16-3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyKCQYCDOQKQGRCE-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.86
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)propane-1-sulfonamide

N-(2,5-dimethoxyphenyl)propane-1-sulfonamide (PubChem CID 60640726) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)propane-1-sulfonamide
PubChem CID60640726
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-(2,5-dimethoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C11H17NO4S/c1-4-7-17(13,14)12-10-8-9(15-2)5-6-11(10)16-3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyKCQYCDOQKQGRCE-UHFFFAOYSA-N
XLogP1.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethoxyphenyl)propane-1-sulfonamide 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

1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
CID 43322394
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883
4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide
CID 119051423
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)propane-1-sulfonamide (CID 60640726) is N-(2,5-dimethoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)propane-1-sulfonamide?
The InChIKey is KCQYCDOQKQGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-4-7-17(13,14)12-10-8-9(15-2)5-6-11(10)16-3/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)propane-1-sulfonamide?
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).