2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide

C11H7Cl2N3O4S — CID 60639935

IUPAC2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C11H7Cl2N3O4S/c12-8-4-3-7(16(17)18)6-10(8)21(19,20)15-9-2-1-5-14-11(9)13/h1-6,15H
InChIKeyVKBYDNMTQQIFEG-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide

2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide (PubChem CID 60639935) has the molecular formula C11H7Cl2N3O4S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
PubChem CID60639935
Molecular FormulaC11H7Cl2N3O4S
Molecular Weight348.17 g/mol
Exact Mass346.95
IUPAC Name2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C11H7Cl2N3O4S/c12-8-4-3-7(16(17)18)6-10(8)21(19,20)15-9-2-1-5-14-11(9)13/h1-6,15H
InChIKeyVKBYDNMTQQIFEG-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

2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
CID 104821583
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
2-chloro-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61074126
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
2-chloro-5-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 4129284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide (CID 60639935) is 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide?
The InChIKey is VKBYDNMTQQIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4S/c12-8-4-3-7(16(17)18)6-10(8)21(19,20)15-9-2-1-5-14-11(9)13/h1-6,15H.
What are the key properties of 2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide?
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide 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-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 60639935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).