N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide

C12H6BrCl2FN2O3S — CID 25001366

IUPACN-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H6BrCl2FN2O3S/c13-9-4-7(5-17-11(9)15)22(20,21)18-12(19)8-2-1-6(16)3-10(8)14/h1-5H,(H,18,19)
InChIKeyQIDPZKMQUNFHDU-UHFFFAOYSA-N
MW428.07 g/mol
LogP3.41
Rot. Bonds3

About N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide

N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide (PubChem CID 25001366) has the molecular formula C12H6BrCl2FN2O3S and a molecular weight of 428.07 g/mol. Its IUPAC name is N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide
PubChem CID25001366
Molecular FormulaC12H6BrCl2FN2O3S
Molecular Weight428.07 g/mol
Exact Mass425.86
IUPAC NameN-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H6BrCl2FN2O3S/c13-9-4-7(5-17-11(9)15)22(20,21)18-12(19)8-2-1-6(16)3-10(8)14/h1-5H,(H,18,19)
InChIKeyQIDPZKMQUNFHDU-UHFFFAOYSA-N
XLogP3.41
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.07
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide (CID 25001366) is N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide is O=C(NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide?
The InChIKey is QIDPZKMQUNFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FN2O3S/c13-9-4-7(5-17-11(9)15)22(20,21)18-12(19)8-2-1-6(16)3-10(8)14/h1-5H,(H,18,19).
What are the key properties of N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide?
N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide has a molecular weight of 428.07 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 25001366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).