5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide

C12H12Cl2N2O2S2 — CID 64607266

IUPAC5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7-3-4-11(19-7)8(2)16-20(17,18)9-5-10(13)12(14)15-6-9/h3-6,8,16H,1-2H3
InChIKeyMUDRMIXHHLXBQN-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.80
Rot. Bonds4

About 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 64607266) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID64607266
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC Name5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7-3-4-11(19-7)8(2)16-20(17,18)9-5-10(13)12(14)15-6-9/h3-6,8,16H,1-2H3
InChIKeyMUDRMIXHHLXBQN-UHFFFAOYSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
3-chloro-4-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 115590735
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724
2-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 62153288
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
2-amino-4-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61474985
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide (CID 64607266) is 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is MUDRMIXHHLXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-7-3-4-11(19-7)8(2)16-20(17,18)9-5-10(13)12(14)15-6-9/h3-6,8,16H,1-2H3.
What are the key properties of 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64607266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).