5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide

C11H12BrClN4O2S — CID 61060719

IUPAC5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H12BrClN4O2S/c12-9-6-10(11(13)15-7-9)20(18,19)16-2-1-4-17-5-3-14-8-17/h3,5-8,16H,1-2,4H2
InChIKeyLXXCETCPDLMBSJ-UHFFFAOYSA-N
MW379.67 g/mol
LogP2.06
Rot. Bonds6

About 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide (PubChem CID 61060719) has the molecular formula C11H12BrClN4O2S and a molecular weight of 379.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
PubChem CID61060719
Molecular FormulaC11H12BrClN4O2S
Molecular Weight379.67 g/mol
Exact Mass377.96
IUPAC Name5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H12BrClN4O2S/c12-9-6-10(11(13)15-7-9)20(18,19)16-2-1-4-17-5-3-14-8-17/h3,5-8,16H,1-2,4H2
InChIKeyLXXCETCPDLMBSJ-UHFFFAOYSA-N
XLogP2.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 52.06
H-Bond Donors ≤ 51
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'}

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Related Compounds

5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
2,5-dibromo-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide
CID 81427897
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide
CID 61072193
2-bromo-4-fluoro-N-(4-imidazol-1-ylbutyl)benzenesulfonamide
CID 61069449
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 82459797
5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
CID 60779783
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide (CID 61060719) is 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide is O=S(=O)(NCCCn1ccnc1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is LXXCETCPDLMBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O2S/c12-9-6-10(11(13)15-7-9)20(18,19)16-2-1-4-17-5-3-14-8-17/h3,5-8,16H,1-2,4H2.
What are the key properties of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 379.67 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61060719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).