3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide

C9H11BrClN3O3S — CID 61059689

IUPAC3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H11BrClN3O3S/c1-12-8(15)2-3-14-18(16,17)7-4-6(10)5-13-9(7)11/h4-5,14H,2-3H2,1H3,(H,12,15)
InChIKeyPZNCCXRRIKCYQV-UHFFFAOYSA-N
MW356.63 g/mol
LogP0.91
Rot. Bonds5

About 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide

3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide (PubChem CID 61059689) has the molecular formula C9H11BrClN3O3S and a molecular weight of 356.63 g/mol. Its IUPAC name is 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
PubChem CID61059689
Molecular FormulaC9H11BrClN3O3S
Molecular Weight356.63 g/mol
Exact Mass354.94
IUPAC Name3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H11BrClN3O3S/c1-12-8(15)2-3-14-18(16,17)7-4-6(10)5-13-9(7)11/h4-5,14H,2-3H2,1H3,(H,12,15)
InChIKeyPZNCCXRRIKCYQV-UHFFFAOYSA-N
XLogP0.91
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.63
LogP ≤ 50.91
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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Related Compounds

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 62955849
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide (CID 61059689) is 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is PZNCCXRRIKCYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O3S/c1-12-8(15)2-3-14-18(16,17)7-4-6(10)5-13-9(7)11/h4-5,14H,2-3H2,1H3,(H,12,15).
What are the key properties of 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide?
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 356.63 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 61059689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).