5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide

C14H17ClN4O2S — CID 136574861

IUPAC5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2cccnc2)cc1Cl
InChIInChI=1S/C14H17ClN4O2S/c1-2-17-14-13(15)8-12(10-18-14)22(20,21)19-7-5-11-4-3-6-16-9-11/h3-4,6,8-10,19H,2,5,7H2,1H3,(H,17,18)
InChIKeyYLSOCTSWIRYMCE-UHFFFAOYSA-N
MW340.84 g/mol
LogP2.08
Rot. Bonds7

About 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide (PubChem CID 136574861) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
PubChem CID136574861
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2cccnc2)cc1Cl
InChIInChI=1S/C14H17ClN4O2S/c1-2-17-14-13(15)8-12(10-18-14)22(20,21)19-7-5-11-4-3-6-16-9-11/h3-4,6,8-10,19H,2,5,7H2,1H3,(H,17,18)
InChIKeyYLSOCTSWIRYMCE-UHFFFAOYSA-N
XLogP2.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 65236588
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64607977
5-chloro-6-(ethylamino)-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64607180
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80697531
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
CID 78893886

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide (CID 136574861) is 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NCCc2cccnc2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
The InChIKey is YLSOCTSWIRYMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-2-17-14-13(15)8-12(10-18-14)22(20,21)19-7-5-11-4-3-6-16-9-11/h3-4,6,8-10,19H,2,5,7H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide has a molecular weight of 340.84 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 136574861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).