N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide

C17H20ClNO5S — CID 2242822

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C17H20ClNO5S/c1-5-24-14-7-6-11(2)8-17(14)25(20,21)19-13-10-15(22-3)12(18)9-16(13)23-4/h6-10,19H,5H2,1-4H3
InChIKeyRGLNKGKXMVVKEJ-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.87
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide (PubChem CID 2242822) has the molecular formula C17H20ClNO5S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide
PubChem CID2242822
Molecular FormulaC17H20ClNO5S
Molecular Weight385.87 g/mol
Exact Mass385.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C17H20ClNO5S/c1-5-24-14-7-6-11(2)8-17(14)25(20,21)19-13-10-15(22-3)12(18)9-16(13)23-4/h6-10,19H,5H2,1-4H3
InChIKeyRGLNKGKXMVVKEJ-UHFFFAOYSA-N
XLogP3.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide 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-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide (CID 2242822) is N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide?
The InChIKey is RGLNKGKXMVVKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO5S/c1-5-24-14-7-6-11(2)8-17(14)25(20,21)19-13-10-15(22-3)12(18)9-16(13)23-4/h6-10,19H,5H2,1-4H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-ethoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 2242822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).