2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide

C12H7Cl2N3O2S — CID 104922549

IUPAC2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)nc2)c1
InChIInChI=1S/C12H7Cl2N3O2S/c13-10-3-1-8(6-15)5-11(10)20(18,19)17-9-2-4-12(14)16-7-9/h1-5,7,17H
InChIKeyRXQPARMIXIREFT-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide

2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide (PubChem CID 104922549) has the molecular formula C12H7Cl2N3O2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
PubChem CID104922549
Molecular FormulaC12H7Cl2N3O2S
Molecular Weight328.18 g/mol
Exact Mass326.96
IUPAC Name2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)nc2)c1
InChIInChI=1S/C12H7Cl2N3O2S/c13-10-3-1-8(6-15)5-11(10)20(18,19)17-9-2-4-12(14)16-7-9/h1-5,7,17H
InChIKeyRXQPARMIXIREFT-UHFFFAOYSA-N
XLogP3.06
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.06
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-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
CID 80704266
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 80703875
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide (CID 104922549) is 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide?
The InChIKey is RXQPARMIXIREFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O2S/c13-10-3-1-8(6-15)5-11(10)20(18,19)17-9-2-4-12(14)16-7-9/h1-5,7,17H.
What are the key properties of 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide?
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide has a molecular weight of 328.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide is sourced from PubChem (CID 104922549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).