2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride

C9H12ClNO5S2 — CID 71757549

IUPAC2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride
SMILESCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO5S2/c1-3-17(12,13)11-8-6-7(16-2)4-5-9(8)18(10,14)15/h4-6,11H,3H2,1-2H3
InChIKeyQHPRMROJHPGXKC-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.38
Rot. Bonds5

About 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride

2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride (PubChem CID 71757549) has the molecular formula C9H12ClNO5S2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride
PubChem CID71757549
Molecular FormulaC9H12ClNO5S2
Molecular Weight313.78 g/mol
Exact Mass312.98
IUPAC Name2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride
SMILESCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO5S2/c1-3-17(12,13)11-8-6-7(16-2)4-5-9(8)18(10,14)15/h4-6,11H,3H2,1-2H3
InChIKeyQHPRMROJHPGXKC-UHFFFAOYSA-N
XLogP1.38
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride 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 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride (CID 71757549) is 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride is CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
The InChIKey is QHPRMROJHPGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO5S2/c1-3-17(12,13)11-8-6-7(16-2)4-5-9(8)18(10,14)15/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride has a molecular weight of 313.78 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 71757549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).