4-chloro-N-morpholin-4-ylbenzenesulfonamide

C10H13ClN2O3S — CID 897000

IUPAC4-chloro-N-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c11-9-1-3-10(4-2-9)17(14,15)12-13-5-7-16-8-6-13/h1-4,12H,5-8H2
InChIKeyGWGKIRZQGGERHS-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.87
Rot. Bonds3

About 4-chloro-N-morpholin-4-ylbenzenesulfonamide

4-chloro-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 897000) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-morpholin-4-ylbenzenesulfonamide
PubChem CID897000
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name4-chloro-N-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c11-9-1-3-10(4-2-9)17(14,15)12-13-5-7-16-8-6-13/h1-4,12H,5-8H2
InChIKeyGWGKIRZQGGERHS-UHFFFAOYSA-N
XLogP0.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-morpholin-4-ylbenzenesulfonamide (CID 897000) is 4-chloro-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-morpholin-4-ylbenzenesulfonamide is O=S(=O)(NN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is GWGKIRZQGGERHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-9-1-3-10(4-2-9)17(14,15)12-13-5-7-16-8-6-13/h1-4,12H,5-8H2.
What are the key properties of 4-chloro-N-morpholin-4-ylbenzenesulfonamide?
4-chloro-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 276.75 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 897000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).