4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride

C11H9Cl2N3O4S — CID 134119435

IUPAC4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClN3O4S.ClH/c12-8-3-5-9(6-4-8)20(18,19)14-11-10(15(16)17)2-1-7-13-11;/h1-7H,(H,13,14);1H
InChIKeyBNIFFFHBXGMEOV-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.87
Rot. Bonds4

About 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride

4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride (PubChem CID 134119435) has the molecular formula C11H9Cl2N3O4S and a molecular weight of 350.18 g/mol. Its IUPAC name is 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride
PubChem CID134119435
Molecular FormulaC11H9Cl2N3O4S
Molecular Weight350.18 g/mol
Exact Mass348.97
IUPAC Name4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClN3O4S.ClH/c12-8-3-5-9(6-4-8)20(18,19)14-11-10(15(16)17)2-1-7-13-11;/h1-7H,(H,13,14);1H
InChIKeyBNIFFFHBXGMEOV-UHFFFAOYSA-N
XLogP2.87
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
CID 43217809
N-(3-chloropyrazin-2-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 102989939
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
2-N-[2-(4-chloroanilino)ethyl]-3-N-[2-(4-chlorophenyl)sulfonyl-2-[(3-nitro-2-pyridinyl)amino]ethyl]pyridine-2,3-diamine
CID 70158307
5-chloro-N-(3-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80741697
2-(4-chlorophenyl)sulfonyl-3-nitropyridine;2,2,2-trifluoroacetaldehyde
CID 161227512
N-[(4-methylsulfonylphenyl)methyl]-3-nitropyridin-2-amine
CID 60502817
N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-3-nitropyridin-2-amine
CID 133407006

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride (CID 134119435) is 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride is Cl.O=[N+]([O-])c1cccnc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride?
The InChIKey is BNIFFFHBXGMEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4S.ClH/c12-8-3-5-9(6-4-8)20(18,19)14-11-10(15(16)17)2-1-7-13-11;/h1-7H,(H,13,14);1H.
What are the key properties of 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride?
4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride has a molecular weight of 350.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 134119435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).