N-(2,5-dimethoxyphenyl)methanesulfonamide

C9H13NO4S — CID 799013

IUPACN-(2,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1ccc(OC)c(NS(C)(=O)=O)c1
InChIInChI=1S/C9H13NO4S/c1-13-7-4-5-9(14-2)8(6-7)10-15(3,11)12/h4-6,10H,1-3H3
InChIKeyKHSIMUUBXRZIOX-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.08
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)methanesulfonamide

N-(2,5-dimethoxyphenyl)methanesulfonamide (PubChem CID 799013) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)methanesulfonamide
PubChem CID799013
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC NameN-(2,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1ccc(OC)c(NS(C)(=O)=O)c1
InChIInChI=1S/C9H13NO4S/c1-13-7-4-5-9(14-2)8(6-7)10-15(3,11)12/h4-6,10H,1-3H3
InChIKeyKHSIMUUBXRZIOX-UHFFFAOYSA-N
XLogP1.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethoxyphenyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)methanesulfonamide (CID 799013) is N-(2,5-dimethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)methanesulfonamide is COc1ccc(OC)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)methanesulfonamide?
The InChIKey is KHSIMUUBXRZIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-13-7-4-5-9(14-2)8(6-7)10-15(3,11)12/h4-6,10H,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)methanesulfonamide?
N-(2,5-dimethoxyphenyl)methanesulfonamide has a molecular weight of 231.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 799013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).