4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C14H15BrN2O3S — CID 165434224

IUPAC4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2cc(C)ccn2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-3-20-13-9-11(4-5-12(13)15)21(18,19)17-14-8-10(2)6-7-16-14/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyQUKUBIZUDJXRLB-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.35
Rot. Bonds5

About 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide

4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 165434224) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID165434224
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2cc(C)ccn2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-3-20-13-9-11(4-5-12(13)15)21(18,19)17-14-8-10(2)6-7-16-14/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyQUKUBIZUDJXRLB-UHFFFAOYSA-N
XLogP3.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 47071432
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 5312185
4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 71671396
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 102671955
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 9067995

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 165434224) is 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2cc(C)ccn2)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is QUKUBIZUDJXRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-3-20-13-9-11(4-5-12(13)15)21(18,19)17-14-8-10(2)6-7-16-14/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 165434224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).