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

C11H7BrClN3O4S — CID 43389509

IUPACN-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C11H7BrClN3O4S/c12-7-1-4-11(14-6-7)15-21(19,20)10-5-8(16(17)18)2-3-9(10)13/h1-6H,(H,14,15)
InChIKeyPQHDBFOYJQKFRS-UHFFFAOYSA-N
MW392.62 g/mol
LogP3.21
Rot. Bonds4

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

N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide (PubChem CID 43389509) has the molecular formula C11H7BrClN3O4S and a molecular weight of 392.62 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
PubChem CID43389509
Molecular FormulaC11H7BrClN3O4S
Molecular Weight392.62 g/mol
Exact Mass390.90
IUPAC NameN-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C11H7BrClN3O4S/c12-7-1-4-11(14-6-7)15-21(19,20)10-5-8(16(17)18)2-3-9(10)13/h1-6H,(H,14,15)
InChIKeyPQHDBFOYJQKFRS-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': '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
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 60639935
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 63903274

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide (CID 43389509) is N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cn2)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide?
The InChIKey is PQHDBFOYJQKFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O4S/c12-7-1-4-11(14-6-7)15-21(19,20)10-5-8(16(17)18)2-3-9(10)13/h1-6H,(H,14,15).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide?
N-(5-bromo-2-pyridinyl)-2-chloro-5-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-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43389509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).