2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide

C10H13ClFN3O3S — CID 43566779

IUPAC2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-2-14-9(16)5-15-19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4,15H,2,5,13H2,1H3,(H,14,16)
InChIKeyOIGHDTICPFGFTK-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.48
Rot. Bonds5

About 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide

2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 43566779) has the molecular formula C10H13ClFN3O3S and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide
PubChem CID43566779
Molecular FormulaC10H13ClFN3O3S
Molecular Weight309.75 g/mol
Exact Mass309.04
IUPAC Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-2-14-9(16)5-15-19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4,15H,2,5,13H2,1H3,(H,14,16)
InChIKeyOIGHDTICPFGFTK-UHFFFAOYSA-N
XLogP0.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide (CID 43566779) is 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is OIGHDTICPFGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S/c1-2-14-9(16)5-15-19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4,15H,2,5,13H2,1H3,(H,14,16).
What are the key properties of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide?
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 309.75 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 43566779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).