2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide

C11H10Cl2N2O2S2 — CID 114139001

IUPAC2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)c1ccnc(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2S2/c12-10-7-9(4-5-14-10)19(16,17)15-6-3-8-1-2-11(13)18-8/h1-2,4-5,7,15H,3,6H2
InChIKeyXNVKTOWAQPEVPG-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.97
Rot. Bonds5

About 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide

2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide (PubChem CID 114139001) has the molecular formula C11H10Cl2N2O2S2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
PubChem CID114139001
Molecular FormulaC11H10Cl2N2O2S2
Molecular Weight337.25 g/mol
Exact Mass335.96
IUPAC Name2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)c1ccnc(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2S2/c12-10-7-9(4-5-14-10)19(16,17)15-6-3-8-1-2-11(13)18-8/h1-2,4-5,7,15H,3,6H2
InChIKeyXNVKTOWAQPEVPG-UHFFFAOYSA-N
XLogP2.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.97
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

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106049745
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
CID 62615784
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106034908
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
2-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyridine-4-sulfonamide
CID 61216557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide (CID 114139001) is 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide is O=S(=O)(NCCc1ccc(Cl)s1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide?
The InChIKey is XNVKTOWAQPEVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S2/c12-10-7-9(4-5-14-10)19(16,17)15-6-3-8-1-2-11(13)18-8/h1-2,4-5,7,15H,3,6H2.
What are the key properties of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide?
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide has a molecular weight of 337.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 114139001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).