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

C13H15ClN4O2S — CID 64606204

IUPAC5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2cccnc2)cc1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-2-16-13-12(14)6-11(9-17-13)21(19,20)18-8-10-4-3-5-15-7-10/h3-7,9,18H,2,8H2,1H3,(H,16,17)
InChIKeyOJRMYNARUCDWBA-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.04
Rot. Bonds6

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

5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64606204) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID64606204
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2cccnc2)cc1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-2-16-13-12(14)6-11(9-17-13)21(19,20)18-8-10-4-3-5-15-7-10/h3-7,9,18H,2,8H2,1H3,(H,16,17)
InChIKeyOJRMYNARUCDWBA-UHFFFAOYSA-N
XLogP2.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
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
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 136574867
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 64607222
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64599947
5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 65236588

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (CID 64606204) is 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NCc2cccnc2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is OJRMYNARUCDWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-2-16-13-12(14)6-11(9-17-13)21(19,20)18-8-10-4-3-5-15-7-10/h3-7,9,18H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.04, 6 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-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64606204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).