N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide

C11H7BrClN3O4S — CID 43520687

IUPACN-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H7BrClN3O4S/c12-10-2-1-3-11(14-10)15-21(19,20)9-5-4-7(13)6-8(9)16(17)18/h1-6H,(H,14,15)
InChIKeyXHCRWPMNSYFBJR-UHFFFAOYSA-N
MW392.62 g/mol
LogP3.21
Rot. Bonds4

About N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide

N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide (PubChem CID 43520687) has the molecular formula C11H7BrClN3O4S and a molecular weight of 392.62 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide
PubChem CID43520687
Molecular FormulaC11H7BrClN3O4S
Molecular Weight392.62 g/mol
Exact Mass390.90
IUPAC NameN-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C11H7BrClN3O4S/c12-10-2-1-3-11(14-10)15-21(19,20)9-5-4-7(13)6-8(9)16(17)18/h1-6H,(H,14,15)
InChIKeyXHCRWPMNSYFBJR-UHFFFAOYSA-N
XLogP3.21
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 53.21
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

N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 43520632
4-chloro-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 39992748
N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43520652
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 61016331
N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 62144754
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
N-(2-aminocyclopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43596895
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
N-(3-aminocyclobutyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43597678

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide (CID 43520687) is N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide?
The InChIKey is XHCRWPMNSYFBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O4S/c12-10-2-1-3-11(14-10)15-21(19,20)9-5-4-7(13)6-8(9)16(17)18/h1-6H,(H,14,15).
What are the key properties of N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide?
N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide has a molecular weight of 392.62 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 43520687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).