N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide

C9H10Cl2N2O2S — CID 115692267

IUPACN-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2S/c1-3-6(2)13-16(14,15)7-4-8(10)9(11)12-5-7/h3-6,13H,1H2,2H3
InChIKeyLRQVUPANMNQMER-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.24
Rot. Bonds4

About N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide

N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide (PubChem CID 115692267) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
PubChem CID115692267
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC NameN-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2S/c1-3-6(2)13-16(14,15)7-4-8(10)9(11)12-5-7/h3-6,13H,1H2,2H3
InChIKeyLRQVUPANMNQMER-UHFFFAOYSA-N
XLogP2.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420
5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 64607227
5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 64607266
5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115662752
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
CID 64607430

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide?
The IUPAC name of N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide (CID 115692267) is N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide.
What is the SMILES notation for N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide?
The canonical SMILES for N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide is C=CC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide?
The InChIKey is LRQVUPANMNQMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2S/c1-3-6(2)13-16(14,15)7-4-8(10)9(11)12-5-7/h3-6,13H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide?
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide has a molecular weight of 281.16 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide is sourced from PubChem (CID 115692267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).