5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide

C14H22ClN3O2S — CID 64606620

IUPAC5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCC2CCCC2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-2-7-16-14-13(15)8-12(10-17-14)21(19,20)18-9-11-5-3-4-6-11/h8,10-11,18H,2-7,9H2,1H3,(H,16,17)
InChIKeyJVNOIUOKYLIAQZ-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.03
Rot. Bonds7

About 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide

5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 64606620) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID64606620
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCC2CCCC2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-2-7-16-14-13(15)8-12(10-17-14)21(19,20)18-9-11-5-3-4-6-11/h8,10-11,18H,2-7,9H2,1H3,(H,16,17)
InChIKeyJVNOIUOKYLIAQZ-UHFFFAOYSA-N
XLogP3.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64599947
5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide
CID 164635829
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
5-chloro-6-(1-methoxybutan-2-ylamino)-N-[(1-methylazepan-3-yl)methyl]pyridine-3-sulfonamide
CID 167775426
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 104829834
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64601137
5-chloro-N-(2-cyclobutylethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 113479037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide (CID 64606620) is 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)NCC2CCCC2)cc1Cl.
What is the InChIKey of 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is JVNOIUOKYLIAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-2-7-16-14-13(15)8-12(10-17-14)21(19,20)18-9-11-5-3-4-6-11/h8,10-11,18H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide?
5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64606620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).