5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide

C12H16ClN5O2S — CID 64599947

IUPAC5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCc2cn[nH]c2)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-2-3-14-12-11(13)4-10(8-15-12)21(19,20)18-7-9-5-16-17-6-9/h4-6,8,18H,2-3,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyDLVUZSILINAFKD-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.76
Rot. Bonds7

About 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide

5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64599947) has the molecular formula C12H16ClN5O2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID64599947
Molecular FormulaC12H16ClN5O2S
Molecular Weight329.81 g/mol
Exact Mass329.07
IUPAC Name5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCc2cn[nH]c2)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-2-3-14-12-11(13)4-10(8-15-12)21(19,20)18-7-9-5-16-17-6-9/h4-6,8,18H,2-3,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyDLVUZSILINAFKD-UHFFFAOYSA-N
XLogP1.76
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64607994
5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64606620
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 104829834
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
4-chloro-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61004535
5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 64602431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide (CID 64599947) is 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)NCc2cn[nH]c2)cc1Cl.
What is the InChIKey of 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is DLVUZSILINAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2S/c1-2-3-14-12-11(13)4-10(8-15-12)21(19,20)18-7-9-5-16-17-6-9/h4-6,8,18H,2-3,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64599947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).