4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide

C11H15ClN2O4S2 — CID 134929117

IUPAC4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C11H15ClN2O4S2/c1-19(15,14-6-8-18-9-7-14)13-20(16,17)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyGESFUQGUXXJDND-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.37
Rot. Bonds3

About 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide

4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide (PubChem CID 134929117) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide
PubChem CID134929117
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Name4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C11H15ClN2O4S2/c1-19(15,14-6-8-18-9-7-14)13-20(16,17)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyGESFUQGUXXJDND-UHFFFAOYSA-N
XLogP1.37
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide (CID 134929117) is 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide is CS(=O)(=NS(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide?
The InChIKey is GESFUQGUXXJDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c1-19(15,14-6-8-18-9-7-14)13-20(16,17)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide?
4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide has a molecular weight of 338.84 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(methyl-morpholin-4-yl-oxo-λ6-sulfanylidene)benzenesulfonamide is sourced from PubChem (CID 134929117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).