2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide

C10H6ClN3O2S2 — CID 61051149

IUPAC2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccsc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H6ClN3O2S2/c11-9-8(2-1-4-13-9)18(15,16)14-10-7(6-12)3-5-17-10/h1-5,14H
InChIKeyAIMPTHWGWREJMF-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.47
Rot. Bonds3

About 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide

2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide (PubChem CID 61051149) has the molecular formula C10H6ClN3O2S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
PubChem CID61051149
Molecular FormulaC10H6ClN3O2S2
Molecular Weight299.76 g/mol
Exact Mass298.96
IUPAC Name2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccsc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H6ClN3O2S2/c11-9-8(2-1-4-13-9)18(15,16)14-10-7(6-12)3-5-17-10/h1-5,14H
InChIKeyAIMPTHWGWREJMF-UHFFFAOYSA-N
XLogP2.47
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide (CID 61051149) is 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide is N#Cc1ccsc1NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
The InChIKey is AIMPTHWGWREJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S2/c11-9-8(2-1-4-13-9)18(15,16)14-10-7(6-12)3-5-17-10/h1-5,14H.
What are the key properties of 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide has a molecular weight of 299.76 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61051149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).