5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C18H17BrN2O4S — CID 30668627

IUPAC5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H17BrN2O4S/c1-24-17-7-6-15(19)10-18(17)26(22,23)21(13-16-5-3-9-25-16)12-14-4-2-8-20-11-14/h2-11H,12-13H2,1H3
InChIKeyXWJYZNMYLYMROB-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.84
Rot. Bonds7

About 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 30668627) has the molecular formula C18H17BrN2O4S and a molecular weight of 437.32 g/mol. Its IUPAC name is 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID30668627
Molecular FormulaC18H17BrN2O4S
Molecular Weight437.32 g/mol
Exact Mass436.01
IUPAC Name5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H17BrN2O4S/c1-24-17-7-6-15(19)10-18(17)26(22,23)21(13-16-5-3-9-25-16)12-14-4-2-8-20-11-14/h2-11H,12-13H2,1H3
InChIKeyXWJYZNMYLYMROB-UHFFFAOYSA-N
XLogP3.84
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 30668627) is 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is XWJYZNMYLYMROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4S/c1-24-17-7-6-15(19)10-18(17)26(22,23)21(13-16-5-3-9-25-16)12-14-4-2-8-20-11-14/h2-11H,12-13H2,1H3.
What are the key properties of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 437.32 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 30668627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).