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

C10H13ClFN3O3S — CID 103051230

IUPAC3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-14-9(16)2-3-15-19(17,18)8-5-6(11)4-7(13)10(8)12/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyGKEPCQXUUJEJPE-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.48
Rot. Bonds5

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

3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 103051230) has the molecular formula C10H13ClFN3O3S and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID103051230
Molecular FormulaC10H13ClFN3O3S
Molecular Weight309.75 g/mol
Exact Mass309.04
IUPAC Name3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-14-9(16)2-3-15-19(17,18)8-5-6(11)4-7(13)10(8)12/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyGKEPCQXUUJEJPE-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 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 103051230) is 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is GKEPCQXUUJEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S/c1-14-9(16)2-3-15-19(17,18)8-5-6(11)4-7(13)10(8)12/h4-5,15H,2-3,13H2,1H3,(H,14,16).
What are the key properties of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide 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 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 103051230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).