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

C10H13ClFN3O3S — CID 43310750

IUPAC2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-15(2)9(16)5-14-19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4,14H,5,13H2,1-2H3
InChIKeyGHNCIQPOXMHEJJ-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.43
Rot. Bonds4

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

2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide (PubChem CID 43310750) 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide
PubChem CID43310750
Molecular FormulaC10H13ClFN3O3S
Molecular Weight309.75 g/mol
Exact Mass309.04
IUPAC Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN3O3S/c1-15(2)9(16)5-14-19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4,14H,5,13H2,1-2H3
InChIKeyGHNCIQPOXMHEJJ-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.43
H-Bond Donors ≤ 52
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,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide (CID 43310750) is 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is GHNCIQPOXMHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S/c1-15(2)9(16)5-14-19(17,18)8-4-6(13)3-7(11)10(8)12/h3-4,14H,5,13H2,1-2H3.
What are the key properties of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide?
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 309.75 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 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,N-dimethylacetamide is sourced from PubChem (CID 43310750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).