2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C18H20ClFN2O5S — CID 2243238

IUPAC2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C18H20ClFN2O5S/c1-26-16-6-3-12(9-17(16)27-2)7-8-21-18(23)11-22-28(24,25)13-4-5-15(20)14(19)10-13/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyWXBAVLIJYJBIAH-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.13
Rot. Bonds9

About 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 2243238) has the molecular formula C18H20ClFN2O5S and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID2243238
Molecular FormulaC18H20ClFN2O5S
Molecular Weight430.89 g/mol
Exact Mass430.08
IUPAC Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C18H20ClFN2O5S/c1-26-16-6-3-12(9-17(16)27-2)7-8-21-18(23)11-22-28(24,25)13-4-5-15(20)14(19)10-13/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyWXBAVLIJYJBIAH-UHFFFAOYSA-N
XLogP2.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 2243238) is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is WXBAVLIJYJBIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O5S/c1-26-16-6-3-12(9-17(16)27-2)7-8-21-18(23)11-22-28(24,25)13-4-5-15(20)14(19)10-13/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 430.89 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2243238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).