2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide

C12H20ClN3O2S — CID 114132607

IUPAC2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H20ClN3O2S/c1-3-8-16(4-2)9-7-15-19(17,18)11-5-6-14-12(13)10-11/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyCHVFEIVARITTHJ-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.75
Rot. Bonds8

About 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide

2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide (PubChem CID 114132607) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
PubChem CID114132607
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H20ClN3O2S/c1-3-8-16(4-2)9-7-15-19(17,18)11-5-6-14-12(13)10-11/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyCHVFEIVARITTHJ-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
4-cyano-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 106833437
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
CID 62615784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide (CID 114132607) is 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide is CCCN(CC)CCNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide?
The InChIKey is CHVFEIVARITTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-3-8-16(4-2)9-7-15-19(17,18)11-5-6-14-12(13)10-11/h5-6,10,15H,3-4,7-9H2,1-2H3.
What are the key properties of 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide?
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 114132607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).