N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide

C16H17BrClN3O4S — CID 3590285

IUPACN-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNS(=O)(=O)c2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C16H17BrClN3O4S/c1-11(22)21-12-4-2-5-13(8-12)25-7-3-6-20-26(23,24)14-9-15(17)16(18)19-10-14/h2,4-5,8-10,20H,3,6-7H2,1H3,(H,21,22)
InChIKeyRUZKRZVZPHDSOZ-UHFFFAOYSA-N
MW462.75 g/mol
LogP3.20
Rot. Bonds8

About N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide

N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide (PubChem CID 3590285) has the molecular formula C16H17BrClN3O4S and a molecular weight of 462.75 g/mol. Its IUPAC name is N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide
PubChem CID3590285
Molecular FormulaC16H17BrClN3O4S
Molecular Weight462.75 g/mol
Exact Mass460.98
IUPAC NameN-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNS(=O)(=O)c2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C16H17BrClN3O4S/c1-11(22)21-12-4-2-5-13(8-12)25-7-3-6-20-26(23,24)14-9-15(17)16(18)19-10-14/h2,4-5,8-10,20H,3,6-7H2,1H3,(H,21,22)
InChIKeyRUZKRZVZPHDSOZ-UHFFFAOYSA-N
XLogP3.20
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.75
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 5009141
N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide
CID 2810841
N-[3-[3-[(4-bromo-3-chlorophenyl)carbamothioylamino]propoxy]phenyl]acetamide
CID 3719622
5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 4686096
N-[3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propoxy]phenyl]acetamide
CID 4512279
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-[3-[(3-chlorophenyl)carbamothioylamino]propoxy]phenyl]acetamide
CID 3719601
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55960607
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide (CID 3590285) is N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCNS(=O)(=O)c2cnc(Cl)c(Br)c2)c1.
What is the InChIKey of N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide?
The InChIKey is RUZKRZVZPHDSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3O4S/c1-11(22)21-12-4-2-5-13(8-12)25-7-3-6-20-26(23,24)14-9-15(17)16(18)19-10-14/h2,4-5,8-10,20H,3,6-7H2,1H3,(H,21,22).
What are the key properties of N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide?
N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide has a molecular weight of 462.75 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide is sourced from PubChem (CID 3590285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).