2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide

C12H10ClN3O2S2 — CID 61052071

IUPAC2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide
SMILESCc1sc(NS(=O)(=O)c2cccnc2Cl)c(C#N)c1C
InChIInChI=1S/C12H10ClN3O2S2/c1-7-8(2)19-12(9(7)6-14)16-20(17,18)10-4-3-5-15-11(10)13/h3-5,16H,1-2H3
InChIKeyPRDOLQZOZQRZRZ-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.09
Rot. Bonds3

About 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide

2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide (PubChem CID 61052071) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide
PubChem CID61052071
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide
SMILESCc1sc(NS(=O)(=O)c2cccnc2Cl)c(C#N)c1C
InChIInChI=1S/C12H10ClN3O2S2/c1-7-8(2)19-12(9(7)6-14)16-20(17,18)10-4-3-5-15-11(10)13/h3-5,16H,1-2H3
InChIKeyPRDOLQZOZQRZRZ-UHFFFAOYSA-N
XLogP3.09
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.09
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-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide (CID 61052071) is 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide is Cc1sc(NS(=O)(=O)c2cccnc2Cl)c(C#N)c1C.
What is the InChIKey of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide?
The InChIKey is PRDOLQZOZQRZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c1-7-8(2)19-12(9(7)6-14)16-20(17,18)10-4-3-5-15-11(10)13/h3-5,16H,1-2H3.
What are the key properties of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide has a molecular weight of 327.82 g/mol, XLogP of 3.09, 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-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61052071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).