2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

C11H10ClF2NO4S — CID 65371595

IUPAC2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)c(F)cc1F)N1CCOCC1
InChIInChI=1S/C11H10ClF2NO4S/c12-20(17,18)10-5-7(8(13)6-9(10)14)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2
InChIKeyKASWDRNHQSFSCA-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.36
Rot. Bonds2

About 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (PubChem CID 65371595) has the molecular formula C11H10ClF2NO4S and a molecular weight of 325.72 g/mol. Its IUPAC name is 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
PubChem CID65371595
Molecular FormulaC11H10ClF2NO4S
Molecular Weight325.72 g/mol
Exact Mass325.00
IUPAC Name2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)c(F)cc1F)N1CCOCC1
InChIInChI=1S/C11H10ClF2NO4S/c12-20(17,18)10-5-7(8(13)6-9(10)14)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2
InChIKeyKASWDRNHQSFSCA-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (CID 65371595) is 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is O=C(c1cc(S(=O)(=O)Cl)c(F)cc1F)N1CCOCC1.
What is the InChIKey of 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The InChIKey is KASWDRNHQSFSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO4S/c12-20(17,18)10-5-7(8(13)6-9(10)14)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2.
What are the key properties of 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride has a molecular weight of 325.72 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65371595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).