5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide

C9H8Cl2N2O3S — CID 138986031

IUPAC5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3S/c10-7-3-5(4-12-8(7)11)9(14)13-17(15,16)6-1-2-6/h3-4,6H,1-2H2,(H,13,14)
InChIKeyKPKXLGSMRYKNKS-UHFFFAOYSA-N
MW295.15 g/mol
LogP1.61
Rot. Bonds3

About 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide

5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide (PubChem CID 138986031) has the molecular formula C9H8Cl2N2O3S and a molecular weight of 295.15 g/mol. Its IUPAC name is 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide
PubChem CID138986031
Molecular FormulaC9H8Cl2N2O3S
Molecular Weight295.15 g/mol
Exact Mass293.96
IUPAC Name5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3S/c10-7-3-5(4-12-8(7)11)9(14)13-17(15,16)6-1-2-6/h3-4,6H,1-2H2,(H,13,14)
InChIKeyKPKXLGSMRYKNKS-UHFFFAOYSA-N
XLogP1.61
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 51.61
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-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
CID 62697669
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63482413
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 54950034
5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107412465
5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 78926017
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
CID 113345464
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
CID 143700585

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide (CID 138986031) is 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide is O=C(NS(=O)(=O)C1CC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide?
The InChIKey is KPKXLGSMRYKNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3S/c10-7-3-5(4-12-8(7)11)9(14)13-17(15,16)6-1-2-6/h3-4,6H,1-2H2,(H,13,14).
What are the key properties of 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide?
5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide has a molecular weight of 295.15 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 138986031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).