N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide

C11H7ClN4O2S — CID 113356248

IUPACN-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccnc(Cl)c2)cn1
InChIInChI=1S/C11H7ClN4O2S/c12-11-5-8(3-4-14-11)16-19(17,18)10-2-1-9(6-13)15-7-10/h1-5,7H,(H,14,16)
InChIKeyDQQVXMIZPAWMAS-UHFFFAOYSA-N
MW294.72 g/mol
LogP1.80
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide

N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide (PubChem CID 113356248) has the molecular formula C11H7ClN4O2S and a molecular weight of 294.72 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
PubChem CID113356248
Molecular FormulaC11H7ClN4O2S
Molecular Weight294.72 g/mol
Exact Mass294.00
IUPAC NameN-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccnc(Cl)c2)cn1
InChIInChI=1S/C11H7ClN4O2S/c12-11-5-8(3-4-14-11)16-19(17,18)10-2-1-9(6-13)15-7-10/h1-5,7H,(H,14,16)
InChIKeyDQQVXMIZPAWMAS-UHFFFAOYSA-N
XLogP1.80
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 51.80
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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Related Compounds

6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
CID 115602113
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide (CID 113356248) is N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccnc(Cl)c2)cn1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is DQQVXMIZPAWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2S/c12-11-5-8(3-4-14-11)16-19(17,18)10-2-1-9(6-13)15-7-10/h1-5,7H,(H,14,16).
What are the key properties of N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide?
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 294.72 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 113356248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).