N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide

C12H11BrN2O3S — CID 87537913

IUPACN-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)c(Br)n1
InChIInChI=1S/C12H11BrN2O3S/c1-18-11-8-7-10(12(13)14-11)15-19(16,17)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyQTWSPPCDIXKJFU-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

About N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide

N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 87537913) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID87537913
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC NameN-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)c(Br)n1
InChIInChI=1S/C12H11BrN2O3S/c1-18-11-8-7-10(12(13)14-11)15-19(16,17)9-5-3-2-4-6-9/h2-8,15H,1H3
InChIKeyQTWSPPCDIXKJFU-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-bromo-6-methoxy-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 71847214
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
CID 25035779
N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 68974633
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide
CID 23635587
N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
CID 11212994
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide (CID 87537913) is N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2)c(Br)n1.
What is the InChIKey of N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is QTWSPPCDIXKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-11-8-7-10(12(13)14-11)15-19(16,17)9-5-3-2-4-6-9/h2-8,15H,1H3.
What are the key properties of N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide?
N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 87537913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).