2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide

C11H14BrClFN3O3S — CID 103077306

IUPAC2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C11H14BrClFN3O3S/c1-3-16-11(18)5(2)17-21(19,20)7-4-6(13)8(12)10(15)9(7)14/h4-5,17H,3,15H2,1-2H3,(H,16,18)
InChIKeyPXILXEBYYFXDMK-UHFFFAOYSA-N
MW402.67 g/mol
LogP1.63
Rot. Bonds5

About 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide

2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 103077306) has the molecular formula C11H14BrClFN3O3S and a molecular weight of 402.67 g/mol. Its IUPAC name is 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID103077306
Molecular FormulaC11H14BrClFN3O3S
Molecular Weight402.67 g/mol
Exact Mass400.96
IUPAC Name2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F
InChIInChI=1S/C11H14BrClFN3O3S/c1-3-16-11(18)5(2)17-21(19,20)7-4-6(13)8(12)10(15)9(7)14/h4-5,17H,3,15H2,1-2H3,(H,16,18)
InChIKeyPXILXEBYYFXDMK-UHFFFAOYSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.67
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide (CID 103077306) is 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1cc(Cl)c(Br)c(N)c1F.
What is the InChIKey of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is PXILXEBYYFXDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFN3O3S/c1-3-16-11(18)5(2)17-21(19,20)7-4-6(13)8(12)10(15)9(7)14/h4-5,17H,3,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 402.67 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 103077306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).