2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide

C12H14Cl2N2O4S — CID 3816252

IUPAC2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyDGQBLXIZLVFBCI-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.54
Rot. Bonds4

About 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide

2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3816252) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3816252
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyDGQBLXIZLVFBCI-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3816252) is 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is DGQBLXIZLVFBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17).
What are the key properties of 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 353.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3816252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).