5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide

C14H24ClN3O2S — CID 64600685

IUPAC5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)C(CC)CC)cc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-5-8-16-14-13(15)9-12(10-17-14)21(19,20)18(4)11(6-2)7-3/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyGITKNOODIYZDLH-UHFFFAOYSA-N
MW333.89 g/mol
LogP3.37
Rot. Bonds8

About 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide

5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 64600685) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
PubChem CID64600685
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)C(CC)CC)cc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-5-8-16-14-13(15)9-12(10-17-14)21(19,20)18(4)11(6-2)7-3/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyGITKNOODIYZDLH-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64601073
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 104829834
5-chloro-6-(ethylamino)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64608903
5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 64606467
N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 113239391
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 115987150
N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044291
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide (CID 64600685) is 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)N(C)C(CC)CC)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is GITKNOODIYZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-5-8-16-14-13(15)9-12(10-17-14)21(19,20)18(4)11(6-2)7-3/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide?
5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 333.89 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64600685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).