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

C12H9Cl2N3O4S — CID 11494255

IUPAC5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(c1cccnc1Cl)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9Cl2N3O4S/c1-16(10-3-2-6-15-12(10)14)22(20,21)11-7-8(13)4-5-9(11)17(18)19/h2-7H,1H3
InChIKeyIEBQDKGENLFPJG-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.12
Rot. Bonds4

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

5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 11494255) has the molecular formula C12H9Cl2N3O4S and a molecular weight of 362.19 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
PubChem CID11494255
Molecular FormulaC12H9Cl2N3O4S
Molecular Weight362.19 g/mol
Exact Mass360.97
IUPAC Name5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(c1cccnc1Cl)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9Cl2N3O4S/c1-16(10-3-2-6-15-12(10)14)22(20,21)11-7-8(13)4-5-9(11)17(18)19/h2-7H,1H3
InChIKeyIEBQDKGENLFPJG-UHFFFAOYSA-N
XLogP3.12
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
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

N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
CID 11652789
N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
CID 123578429
N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
CID 131843711
N,N-dibutyl-5-chloro-2-nitrobenzenesulfonamide
CID 7574217
N-methyl-N-[2-[methyl-(2-nitrophenyl)sulfonylamino]phenyl]carbamoyl chloride
CID 89058737
2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100508845
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
N-methyl-5-nitro-N-phenylquinoline-8-sulfonamide
CID 122142980
2-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]benzoic acid
CID 43621552
2-[methyl-(2-nitrophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738958
N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
CID 99717909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide (CID 11494255) is 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide is CN(c1cccnc1Cl)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is IEBQDKGENLFPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O4S/c1-16(10-3-2-6-15-12(10)14)22(20,21)11-7-8(13)4-5-9(11)17(18)19/h2-7H,1H3.
What are the key properties of 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 362.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 11494255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).