2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide

C12H18ClN3O3S — CID 43415001

IUPAC2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1cccnc1Cl
InChIInChI=1S/C12H18ClN3O3S/c13-12-11(3-1-4-14-12)20(17,18)15-5-2-6-16-7-9-19-10-8-16/h1,3-4,15H,2,5-10H2
InChIKeyWPEDHCPYJURIPC-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.74
Rot. Bonds6

About 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide

2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide (PubChem CID 43415001) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
PubChem CID43415001
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1cccnc1Cl
InChIInChI=1S/C12H18ClN3O3S/c13-12-11(3-1-4-14-12)20(17,18)15-5-2-6-16-7-9-19-10-8-16/h1,3-4,15H,2,5-10H2
InChIKeyWPEDHCPYJURIPC-UHFFFAOYSA-N
XLogP0.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.74
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

2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
CID 61217770
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 9469996
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 3078101
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide (CID 43415001) is 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide is O=S(=O)(NCCCN1CCOCC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is WPEDHCPYJURIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c13-12-11(3-1-4-14-12)20(17,18)15-5-2-6-16-7-9-19-10-8-16/h1,3-4,15H,2,5-10H2.
What are the key properties of 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 43415001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).