2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide

C12H8Cl2N2O3S — CID 57398015

IUPAC2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C12H8Cl2N2O3S/c13-8-3-5-9(6-4-8)20(18,19)16-12(17)10-2-1-7-15-11(10)14/h1-7H,(H,16,17)
InChIKeyLBUHHAPYHCPCTQ-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide

2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide (PubChem CID 57398015) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide
PubChem CID57398015
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC Name2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C12H8Cl2N2O3S/c13-8-3-5-9(6-4-8)20(18,19)16-12(17)10-2-1-7-15-11(10)14/h1-7H,(H,16,17)
InChIKeyLBUHHAPYHCPCTQ-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

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CID 857488
N3-Benzyl-2-chloronicotinamide
CID 2794855
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CID 710402
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 2233073
2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 3361061
1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 649951
6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
CID 4875182
6-chloro-N-{3-[(4-chlorophenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 5082311
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid amide
CID 10072535
Mls000849774
CID 2800095
N'-Benzenesulphono-N-nicotinohydrazide
CID 73099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide (CID 57398015) is 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide?
The InChIKey is LBUHHAPYHCPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c13-8-3-5-9(6-4-8)20(18,19)16-12(17)10-2-1-7-15-11(10)14/h1-7H,(H,16,17).
What are the key properties of 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide?
2-chloro-N-(4-chlorophenyl)sulfonylpyridine-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 2-chloro-N-(4-chlorophenyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 57398015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).