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

C10H13ClFN3O3S — CID 43552687

IUPACN-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-6(16)14-2-3-15-19(17,18)9-5-7(13)4-8(11)10(9)12/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyRQDBQMAQNHSDTO-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.48
Rot. Bonds5

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

N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 43552687) has the molecular formula C10H13ClFN3O3S and a molecular weight of 309.75 g/mol. Its IUPAC name is N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide
PubChem CID43552687
Molecular FormulaC10H13ClFN3O3S
Molecular Weight309.75 g/mol
Exact Mass309.04
IUPAC NameN-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-6(16)14-2-3-15-19(17,18)9-5-7(13)4-8(11)10(9)12/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyRQDBQMAQNHSDTO-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide (CID 43552687) is N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is RQDBQMAQNHSDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S/c1-6(16)14-2-3-15-19(17,18)9-5-7(13)4-8(11)10(9)12/h4-5,15H,2-3,13H2,1H3,(H,14,16).
What are the key properties of N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide 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 N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 43552687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).