2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide

C11H11ClN2O2S2 — CID 54953527

IUPAC2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccsc1)c1cccnc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c12-11-10(2-1-5-13-11)18(15,16)14-6-3-9-4-7-17-8-9/h1-2,4-5,7-8,14H,3,6H2
InChIKeySIRFMXOSWFFGHN-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.32
Rot. Bonds5

About 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide

2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide (PubChem CID 54953527) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
PubChem CID54953527
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccsc1)c1cccnc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c12-11-10(2-1-5-13-11)18(15,16)14-6-3-9-4-7-17-8-9/h1-2,4-5,7-8,14H,3,6H2
InChIKeySIRFMXOSWFFGHN-UHFFFAOYSA-N
XLogP2.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.32
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

2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 113239631
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-(methylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 63247729
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 55174098
5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
CID 106050116
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine
CID 106512644
(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934121
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide (CID 54953527) is 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide is O=S(=O)(NCCc1ccsc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
The InChIKey is SIRFMXOSWFFGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-11-10(2-1-5-13-11)18(15,16)14-6-3-9-4-7-17-8-9/h1-2,4-5,7-8,14H,3,6H2.
What are the key properties of 2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.32, 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-thiophen-3-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 54953527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).