N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide

C12H11BrN2O3S — CID 51354314

IUPACN-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-11-2-4-12(5-3-11)19(16,17)15-10-6-9(13)7-14-8-10/h2-8,15H,1H3
InChIKeyFZXMYXYILMRJKU-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

About N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide

N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 51354314) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID51354314
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC NameN-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-11-2-4-12(5-3-11)19(16,17)15-10-6-9(13)7-14-8-10/h2-8,15H,1H3
InChIKeyFZXMYXYILMRJKU-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

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Related Compounds

4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
CID 121223080
5-[(4-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 20910442
N-(5-bromo-3-pyridinyl)-3-methoxythiophene-2-sulfonamide
CID 166185385
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(3,4-difluorophenyl)-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910450
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
CID 82858181
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide (CID 51354314) is N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is FZXMYXYILMRJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-11-2-4-12(5-3-11)19(16,17)15-10-6-9(13)7-14-8-10/h2-8,15H,1H3.
What are the key properties of N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide?
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide 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-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 51354314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).