6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide

C11H13ClN4O2S — CID 28828807

IUPAC6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN4O2S/c12-11-3-2-10(8-14-11)19(17,18)15-4-1-6-16-7-5-13-9-16/h2-3,5,7-9,15H,1,4,6H2
InChIKeyIUCHTZDHHGIBLB-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.30
Rot. Bonds6

About 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide

6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide (PubChem CID 28828807) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
PubChem CID28828807
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN4O2S/c12-11-3-2-10(8-14-11)19(17,18)15-4-1-6-16-7-5-13-9-16/h2-3,5,7-9,15H,1,4,6H2
InChIKeyIUCHTZDHHGIBLB-UHFFFAOYSA-N
XLogP1.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.30
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

6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430289
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 61060719
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide (CID 28828807) is 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide is O=S(=O)(NCCCn1ccnc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is IUCHTZDHHGIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c12-11-3-2-10(8-14-11)19(17,18)15-4-1-6-16-7-5-13-9-16/h2-3,5,7-9,15H,1,4,6H2.
What are the key properties of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 28828807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).