N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide

C12H8Cl2N2O3S — CID 134393571

IUPACN-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H8Cl2N2O3S/c13-10-7-6-9(11(14)15-10)12(17)16-20(18,19)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyXMPUJGJSKZBKEU-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.51
Rot. Bonds3

About N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide

N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 134393571) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID134393571
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC NameN-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H8Cl2N2O3S/c13-10-7-6-9(11(14)15-10)12(17)16-20(18,19)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyXMPUJGJSKZBKEU-UHFFFAOYSA-N
XLogP2.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.51
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

N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
CID 57401428
N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide
CID 134398714
N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide
CID 156680998
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
CID 134393536
N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide
CID 153351064
N-(benzenesulfonyl)-2-methylfuran-3-carboxamide
CID 47231856
N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide
CID 87986810
N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 160837808
methyl N-(benzenesulfonyl)carbamate
CID 676519

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide (CID 134393571) is N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is XMPUJGJSKZBKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c13-10-7-6-9(11(14)15-10)12(17)16-20(18,19)8-4-2-1-3-5-8/h1-7H,(H,16,17).
What are the key properties of N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide?
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 331.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 134393571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).