5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide

C12H14ClN3O2S2 — CID 66354828

IUPAC5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccsc2)cc1Cl
InChIInChI=1S/C12H14ClN3O2S2/c1-2-4-14-12-11(13)6-10(7-15-12)20(17,18)16-9-3-5-19-8-9/h3,5-8,16H,2,4H2,1H3,(H,14,15)
InChIKeySKISJXSGNYITFE-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.42
Rot. Bonds6

About 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide

5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide (PubChem CID 66354828) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
PubChem CID66354828
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)Nc2ccsc2)cc1Cl
InChIInChI=1S/C12H14ClN3O2S2/c1-2-4-14-12-11(13)6-10(7-15-12)20(17,18)16-9-3-5-19-8-9/h3,5-8,16H,2,4H2,1H3,(H,14,15)
InChIKeySKISJXSGNYITFE-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
CID 66353570
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66355264
5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 64602431
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-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
CID 64600685
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64599947
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide (CID 66354828) is 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)Nc2ccsc2)cc1Cl.
What is the InChIKey of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide?
The InChIKey is SKISJXSGNYITFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-2-4-14-12-11(13)6-10(7-15-12)20(17,18)16-9-3-5-19-8-9/h3,5-8,16H,2,4H2,1H3,(H,14,15).
What are the key properties of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide?
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 66354828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).