5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide

C12H16ClN5O2S — CID 64602431

IUPAC5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccn(C)n2)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-3-5-14-12-10(13)7-9(8-15-12)21(19,20)17-11-4-6-18(2)16-11/h4,6-8H,3,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYDNJNRNLZXBRMS-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.09
Rot. Bonds6

About 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide

5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 64602431) has the molecular formula C12H16ClN5O2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID64602431
Molecular FormulaC12H16ClN5O2S
Molecular Weight329.81 g/mol
Exact Mass329.07
IUPAC Name5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccn(C)n2)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-3-5-14-12-10(13)7-9(8-15-12)21(19,20)17-11-4-6-18(2)16-11/h4,6-8H,3,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYDNJNRNLZXBRMS-UHFFFAOYSA-N
XLogP2.09
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 104829834
5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64606620
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
5-chloro-6-(ethylamino)-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64607180
2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide
CID 55043689
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64599947
5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
CID 64600685
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide (CID 64602431) is 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)Nc2ccn(C)n2)cc1Cl.
What is the InChIKey of 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is YDNJNRNLZXBRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2S/c1-3-5-14-12-10(13)7-9(8-15-12)21(19,20)17-11-4-6-18(2)16-11/h4,6-8H,3,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64602431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).