2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide

C11H7Cl2N3O4S — CID 61051683

IUPAC2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccnc(Cl)c2)ccc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-9-2-1-7(5-10(9)16(17)18)15-21(19,20)8-3-4-14-11(13)6-8/h1-6,15H
InChIKeyCXSUGGXYQKRBRK-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide

2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide (PubChem CID 61051683) has the molecular formula C11H7Cl2N3O4S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
PubChem CID61051683
Molecular FormulaC11H7Cl2N3O4S
Molecular Weight348.17 g/mol
Exact Mass346.95
IUPAC Name2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccnc(Cl)c2)ccc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-9-2-1-7(5-10(9)16(17)18)15-21(19,20)8-3-4-14-11(13)6-8/h1-6,15H
InChIKeyCXSUGGXYQKRBRK-UHFFFAOYSA-N
XLogP3.10
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 2873288
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide (CID 61051683) is 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2ccnc(Cl)c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide?
The InChIKey is CXSUGGXYQKRBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4S/c12-9-2-1-7(5-10(9)16(17)18)15-21(19,20)8-3-4-14-11(13)6-8/h1-6,15H.
What are the key properties of 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide?
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide has a molecular weight of 348.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61051683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).