2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide

C20H16BrCl2N3O3S — CID 11606192

IUPAC2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C20H16BrCl2N3O3S/c1-12(13-5-3-2-4-6-13)25-20(27)16-9-14(22)7-8-18(16)26-30(28,29)15-10-17(21)19(23)24-11-15/h2-12,26H,1H3,(H,25,27)
InChIKeyVKNRWYXCGGIHFK-UHFFFAOYSA-N
MW529.24 g/mol
LogP5.44
Rot. Bonds6

About 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide

2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide (PubChem CID 11606192) has the molecular formula C20H16BrCl2N3O3S and a molecular weight of 529.24 g/mol. Its IUPAC name is 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide
PubChem CID11606192
Molecular FormulaC20H16BrCl2N3O3S
Molecular Weight529.24 g/mol
Exact Mass526.95
IUPAC Name2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C20H16BrCl2N3O3S/c1-12(13-5-3-2-4-6-13)25-20(27)16-9-14(22)7-8-18(16)26-30(28,29)15-10-17(21)19(23)24-11-15/h2-12,26H,1H3,(H,25,27)
InChIKeyVKNRWYXCGGIHFK-UHFFFAOYSA-N
XLogP5.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.24
LogP ≤ 55.44
H-Bond Donors ≤ 52
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 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide (CID 11606192) is 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide?
The InChIKey is VKNRWYXCGGIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2N3O3S/c1-12(13-5-3-2-4-6-13)25-20(27)16-9-14(22)7-8-18(16)26-30(28,29)15-10-17(21)19(23)24-11-15/h2-12,26H,1H3,(H,25,27).
What are the key properties of 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide?
2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide has a molecular weight of 529.24 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]-5-chloro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 11606192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).