4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide

C13H13BrN2O3S — CID 47038316

IUPAC4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
SMILESCOc1ncccc1NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H13BrN2O3S/c1-9-8-10(5-6-11(9)14)20(17,18)16-12-4-3-7-15-13(12)19-2/h3-8,16H,1-2H3
InChIKeyFTDVIJPFJIDREB-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide

4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide (PubChem CID 47038316) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
PubChem CID47038316
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
SMILESCOc1ncccc1NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H13BrN2O3S/c1-9-8-10(5-6-11(9)14)20(17,18)16-12-4-3-7-15-13(12)19-2/h3-8,16H,1-2H3
InChIKeyFTDVIJPFJIDREB-UHFFFAOYSA-N
XLogP2.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
CID 47310443
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
methyl 4-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methylbenzoate
CID 24651251
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
methyl 3-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 2696840
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
N-(2-methoxy-3-pyridinyl)propane-2-sulfonamide
CID 62998946
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide (CID 47038316) is 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide is COc1ncccc1NS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
The InChIKey is FTDVIJPFJIDREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-9-8-10(5-6-11(9)14)20(17,18)16-12-4-3-7-15-13(12)19-2/h3-8,16H,1-2H3.
What are the key properties of 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47038316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).