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

C10H12ClFN2O3S — CID 4276412

IUPACN-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O3S/c1-7(15)13-4-5-14-18(16,17)8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyIUZIIZWUDRYGMZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.89
Rot. Bonds5

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

N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 4276412) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide
PubChem CID4276412
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC NameN-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O3S/c1-7(15)13-4-5-14-18(16,17)8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyIUZIIZWUDRYGMZ-UHFFFAOYSA-N
XLogP0.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide (CID 4276412) is N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is IUZIIZWUDRYGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c1-7(15)13-4-5-14-18(16,17)8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 294.74 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 4276412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).