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

C13H13BrN2O4S — CID 3866014

IUPAC5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cn1
InChIInChI=1S/C13H13BrN2O4S/c1-19-11-5-3-9(14)7-12(11)21(17,18)16-10-4-6-13(20-2)15-8-10/h3-8,16H,1-2H3
InChIKeyACTAVQNSULDROB-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.66
Rot. Bonds5

About 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 3866014) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID3866014
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cn1
InChIInChI=1S/C13H13BrN2O4S/c1-19-11-5-3-9(14)7-12(11)21(17,18)16-10-4-6-13(20-2)15-8-10/h3-8,16H,1-2H3
InChIKeyACTAVQNSULDROB-UHFFFAOYSA-N
XLogP2.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 43257274
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 3866014) is 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cn1.
What is the InChIKey of 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is ACTAVQNSULDROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-19-11-5-3-9(14)7-12(11)21(17,18)16-10-4-6-13(20-2)15-8-10/h3-8,16H,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 373.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 3866014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).