5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

C14H24ClN3O2S — CID 104829834

IUPAC5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-6-7-16-13-12(15)8-11(9-17-13)21(19,20)18-10(2)14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H,16,17)
InChIKeyJVSVIWBXHIRAFX-UHFFFAOYSA-N
MW333.89 g/mol
LogP3.27
Rot. Bonds6

About 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide

5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 104829834) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID104829834
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-6-7-16-13-12(15)8-11(9-17-13)21(19,20)18-10(2)14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H,16,17)
InChIKeyJVSVIWBXHIRAFX-UHFFFAOYSA-N
XLogP3.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
CID 64600685
5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64606620
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
CID 74224289
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 64602431
5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64599947
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide (CID 104829834) is 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)NC(C)C(C)(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is JVSVIWBXHIRAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-6-7-16-13-12(15)8-11(9-17-13)21(19,20)18-10(2)14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 333.89 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 104829834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).