5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide

C13H23ClN4O2S — CID 82940765

IUPAC5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC(C)CN(C)C)cc1Cl
InChIInChI=1S/C13H23ClN4O2S/c1-5-6-15-13-12(14)7-11(8-16-13)21(19,20)17-10(2)9-18(3)4/h7-8,10,17H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyWXWMVHKDSJPYHE-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.79
Rot. Bonds8

About 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide

5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 82940765) has the molecular formula C13H23ClN4O2S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
PubChem CID82940765
Molecular FormulaC13H23ClN4O2S
Molecular Weight334.87 g/mol
Exact Mass334.12
IUPAC Name5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC(C)CN(C)C)cc1Cl
InChIInChI=1S/C13H23ClN4O2S/c1-5-6-15-13-12(14)7-11(8-16-13)21(19,20)17-10(2)9-18(3)4/h7-8,10,17H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyWXWMVHKDSJPYHE-UHFFFAOYSA-N
XLogP1.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-carboxamide
CID 82949525
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
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
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64599947
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide (CID 82940765) is 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)NC(C)CN(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is WXWMVHKDSJPYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O2S/c1-5-6-15-13-12(14)7-11(8-16-13)21(19,20)17-10(2)9-18(3)4/h7-8,10,17H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide?
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 334.87 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 82940765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).