4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide

C11H8BrClN2O2S — CID 4994113

IUPAC4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C11H8BrClN2O2S/c12-8-3-5-9(6-4-8)18(16,17)15-10-2-1-7-14-11(10)13/h1-7,15H
InChIKeyMRUUNTFNSBCUTD-UHFFFAOYSA-N
MW347.62 g/mol
LogP3.30
Rot. Bonds3

About 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide

4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide (PubChem CID 4994113) has the molecular formula C11H8BrClN2O2S and a molecular weight of 347.62 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
PubChem CID4994113
Molecular FormulaC11H8BrClN2O2S
Molecular Weight347.62 g/mol
Exact Mass345.92
IUPAC Name4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C11H8BrClN2O2S/c12-8-3-5-9(6-4-8)18(16,17)15-10-2-1-7-14-11(10)13/h1-7,15H
InChIKeyMRUUNTFNSBCUTD-UHFFFAOYSA-N
XLogP3.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 103601783
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide (CID 4994113) is 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide?
The InChIKey is MRUUNTFNSBCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2S/c12-8-3-5-9(6-4-8)18(16,17)15-10-2-1-7-14-11(10)13/h1-7,15H.
What are the key properties of 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide?
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide has a molecular weight of 347.62 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 4994113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).