4-morpholin-4-ylsulfonylbenzenesulfonyl chloride

C10H12ClNO5S2 — CID 2779790

IUPAC4-morpholin-4-ylsulfonylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H12ClNO5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2
InChIKeyZZSBUDUHESWZJB-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.63
Rot. Bonds3

About 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride

4-morpholin-4-ylsulfonylbenzenesulfonyl chloride (PubChem CID 2779790) has the molecular formula C10H12ClNO5S2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonylbenzenesulfonyl chloride
PubChem CID2779790
Molecular FormulaC10H12ClNO5S2
Molecular Weight325.80 g/mol
Exact Mass324.98
IUPAC Name4-morpholin-4-ylsulfonylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H12ClNO5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2
InChIKeyZZSBUDUHESWZJB-UHFFFAOYSA-N
XLogP0.63
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride?
The IUPAC name of 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride (CID 2779790) is 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride.
What is the SMILES notation for 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride?
The canonical SMILES for 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride?
The InChIKey is ZZSBUDUHESWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2.
What are the key properties of 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride?
4-morpholin-4-ylsulfonylbenzenesulfonyl chloride has a molecular weight of 325.80 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride is sourced from PubChem (CID 2779790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).