6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide

C12H13ClN4O2S — CID 61053645

IUPAC6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
SMILESCN(C)c1ncccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H13ClN4O2S/c1-17(2)12-10(4-3-7-14-12)16-20(18,19)9-5-6-11(13)15-8-9/h3-8,16H,1-2H3
InChIKeyHQKWNGOXBXJMDE-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.00
Rot. Bonds4

About 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide

6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 61053645) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID61053645
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
SMILESCN(C)c1ncccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H13ClN4O2S/c1-17(2)12-10(4-3-7-14-12)16-20(18,19)9-5-6-11(13)15-8-9/h3-8,16H,1-2H3
InChIKeyHQKWNGOXBXJMDE-UHFFFAOYSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.00
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

3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 61217643
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
6-chloro-N-(1H-indol-7-yl)pyridine-3-sulfonamide
CID 19080167
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912283
N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
CID 86800776
6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 47104374
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide (CID 61053645) is 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide is CN(C)c1ncccc1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is HQKWNGOXBXJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-17(2)12-10(4-3-7-14-12)16-20(18,19)9-5-6-11(13)15-8-9/h3-8,16H,1-2H3.
What are the key properties of 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61053645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).