5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide

C13H23ClN4O2S — CID 102996715

IUPAC5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C13H23ClN4O2S/c1-5-18(8-6-7-17(3)4)21(19,20)11-9-12(14)13(15-2)16-10-11/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyFUXCERQCJVUDSD-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.74
Rot. Bonds8

About 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide

5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 102996715) has the molecular formula C13H23ClN4O2S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
PubChem CID102996715
Molecular FormulaC13H23ClN4O2S
Molecular Weight334.87 g/mol
Exact Mass334.12
IUPAC Name5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C13H23ClN4O2S/c1-5-18(8-6-7-17(3)4)21(19,20)11-9-12(14)13(15-2)16-10-11/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyFUXCERQCJVUDSD-UHFFFAOYSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
CID 64602257
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64601910
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
CID 64608514
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 102870293
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 102995739
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
5-chloro-N-[2-(dimethylamino)ethyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608007
3-chloro-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102993327
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 64608953
5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide
CID 64600117

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide (CID 102996715) is 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FUXCERQCJVUDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O2S/c1-5-18(8-6-7-17(3)4)21(19,20)11-9-12(14)13(15-2)16-10-11/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 334.87 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 102996715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).