3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide

C14H15BrN2O3S — CID 115749665

IUPAC3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-9-6-10(2)16-14(7-9)17-21(18,19)11-4-5-13(20-3)12(15)8-11/h4-8H,1-3H3,(H,16,17)
InChIKeyUEQKHZHSXJLQLY-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.27
Rot. Bonds4

About 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide

3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide (PubChem CID 115749665) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
PubChem CID115749665
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-9-6-10(2)16-14(7-9)17-21(18,19)11-4-5-13(20-3)12(15)8-11/h4-8H,1-3H3,(H,16,17)
InChIKeyUEQKHZHSXJLQLY-UHFFFAOYSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 102671955
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
CID 4992211
1-(4-bromo-5-fluoro-2-methoxyphenyl)-N-(4,6-dimethyl-2-pyridinyl)-2-oxoquinoline-6-sulfonamide
CID 118864927
N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 3376238
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
3-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 114932530
4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 3771750
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide (CID 115749665) is 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1Br.
What is the InChIKey of 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide?
The InChIKey is UEQKHZHSXJLQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9-6-10(2)16-14(7-9)17-21(18,19)11-4-5-13(20-3)12(15)8-11/h4-8H,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 115749665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).