3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide

C14H14BrClN4O3S — CID 3488944

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14BrClN4O3S/c15-9-6-12(14(17)18-8-9)24(22,23)19-5-4-13(21)20-11-3-1-2-10(16)7-11/h1-3,6-8,19H,4-5H2,(H2,17,18)(H,20,21)
InChIKeyACOHGTJLWQJSIZ-UHFFFAOYSA-N
MW433.72 g/mol
LogP2.39
Rot. Bonds6

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide (PubChem CID 3488944) has the molecular formula C14H14BrClN4O3S and a molecular weight of 433.72 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide
PubChem CID3488944
Molecular FormulaC14H14BrClN4O3S
Molecular Weight433.72 g/mol
Exact Mass431.97
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14BrClN4O3S/c15-9-6-12(14(17)18-8-9)24(22,23)19-5-4-13(21)20-11-3-1-2-10(16)7-11/h1-3,6-8,19H,4-5H2,(H2,17,18)(H,20,21)
InChIKeyACOHGTJLWQJSIZ-UHFFFAOYSA-N
XLogP2.39
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.72
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide (CID 3488944) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide is Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide?
The InChIKey is ACOHGTJLWQJSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4O3S/c15-9-6-12(14(17)18-8-9)24(22,23)19-5-4-13(21)20-11-3-1-2-10(16)7-11/h1-3,6-8,19H,4-5H2,(H2,17,18)(H,20,21).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide has a molecular weight of 433.72 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 3488944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).