4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H15BrN2O3S — CID 5312185

IUPAC4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
InChIKeyHBAHMRLURRGJSJ-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.72
Rot. Bonds6

About 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 5312185) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID5312185
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
InChIKeyHBAHMRLURRGJSJ-UHFFFAOYSA-N
XLogP2.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
4-bromo-N-[(4-methoxyphenyl)methyl]-3-propoxybenzenesulfonamide
CID 91758593
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
4-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 47071432
4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267851
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 5312185) is 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is HBAHMRLURRGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3.
What are the key properties of 4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.72, 6 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-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 5312185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).