2-chloro-N-(diethoxymethylidene)benzenesulfonamide

C11H14ClNO4S — CID 54105451

IUPAC2-chloro-N-(diethoxymethylidene)benzenesulfonamide
SMILESCCOC(=NS(=O)(=O)c1ccccc1Cl)OCC
InChIInChI=1S/C11H14ClNO4S/c1-3-16-11(17-4-2)13-18(14,15)10-8-6-5-7-9(10)12/h5-8H,3-4H2,1-2H3
InChIKeyNDKUHHBJUAPJLA-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.46
Rot. Bonds4

About 2-chloro-N-(diethoxymethylidene)benzenesulfonamide

2-chloro-N-(diethoxymethylidene)benzenesulfonamide (PubChem CID 54105451) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-N-(diethoxymethylidene)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(diethoxymethylidene)benzenesulfonamide
PubChem CID54105451
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-chloro-N-(diethoxymethylidene)benzenesulfonamide
SMILESCCOC(=NS(=O)(=O)c1ccccc1Cl)OCC
InChIInChI=1S/C11H14ClNO4S/c1-3-16-11(17-4-2)13-18(14,15)10-8-6-5-7-9(10)12/h5-8H,3-4H2,1-2H3
InChIKeyNDKUHHBJUAPJLA-UHFFFAOYSA-N
XLogP2.46
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(diethoxymethylidene)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(diethoxymethylidene)benzenesulfonamide (CID 54105451) is 2-chloro-N-(diethoxymethylidene)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(diethoxymethylidene)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(diethoxymethylidene)benzenesulfonamide is CCOC(=NS(=O)(=O)c1ccccc1Cl)OCC.
What is the InChIKey of 2-chloro-N-(diethoxymethylidene)benzenesulfonamide?
The InChIKey is NDKUHHBJUAPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-3-16-11(17-4-2)13-18(14,15)10-8-6-5-7-9(10)12/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(diethoxymethylidene)benzenesulfonamide?
2-chloro-N-(diethoxymethylidene)benzenesulfonamide has a molecular weight of 291.76 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(diethoxymethylidene)benzenesulfonamide is sourced from PubChem (CID 54105451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).