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

C12H10ClN3O4S — CID 11652789

IUPACN-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(c1cccnc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O4S/c1-15(10-6-4-8-14-12(10)13)21(19,20)11-7-3-2-5-9(11)16(17)18/h2-8H,1H3
InChIKeyOLDCACKZYFYBJL-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.47
Rot. Bonds4

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

N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 11652789) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
PubChem CID11652789
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC NameN-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(c1cccnc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O4S/c1-15(10-6-4-8-14-12(10)13)21(19,20)11-7-3-2-5-9(11)16(17)18/h2-8H,1H3
InChIKeyOLDCACKZYFYBJL-UHFFFAOYSA-N
XLogP2.47
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.47
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

5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
CID 11494255
N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
CID 123578429
N-methyl-N-[2-[methyl-(2-nitrophenyl)sulfonylamino]phenyl]carbamoyl chloride
CID 89058737
N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
CID 99717909
2-[methyl-(2-nitrophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738958
N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
CID 131843711
2-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]benzoic acid
CID 43621552
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 18080162
N-methyl-2-nitro-N-propan-2-ylbenzenesulfonamide;2-nitrobenzenesulfonyl chloride
CID 161416921
2-amino-N-methyl-N-(2-nitrophenyl)sulfonylbenzenesulfonamide
CID 90809948
N-[(2R)-butan-2-yl]-N-methyl-2-nitrobenzenesulfonamide
CID 11022024
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide (CID 11652789) is N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide is CN(c1cccnc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is OLDCACKZYFYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c1-15(10-6-4-8-14-12(10)13)21(19,20)11-7-3-2-5-9(11)16(17)18/h2-8H,1H3.
What are the key properties of N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide?
N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 327.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 11652789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).