2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C17H16BrNO3S2 — CID 90495790

IUPAC2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C17H16BrNO3S2/c18-16-7-1-2-8-17(16)24(20,21)19(13-14-5-3-11-22-14)10-9-15-6-4-12-23-15/h1-8,11-12H,9-10,13H2
InChIKeyWROVMIPFUBLCIQ-UHFFFAOYSA-N
MW426.36 g/mol
LogP4.54
Rot. Bonds7

About 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90495790) has the molecular formula C17H16BrNO3S2 and a molecular weight of 426.36 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90495790
Molecular FormulaC17H16BrNO3S2
Molecular Weight426.36 g/mol
Exact Mass424.98
IUPAC Name2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C17H16BrNO3S2/c18-16-7-1-2-8-17(16)24(20,21)19(13-14-5-3-11-22-14)10-9-15-6-4-12-23-15/h1-8,11-12H,9-10,13H2
InChIKeyWROVMIPFUBLCIQ-UHFFFAOYSA-N
XLogP4.54
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495780
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90495783
3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 72717883
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
2,4-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60540684
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61141132
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 60952712
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9302359
2-ethoxy-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583331
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 72717888
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90495790) is 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(c1ccccc1Br)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is WROVMIPFUBLCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3S2/c18-16-7-1-2-8-17(16)24(20,21)19(13-14-5-3-11-22-14)10-9-15-6-4-12-23-15/h1-8,11-12H,9-10,13H2.
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 426.36 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90495790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).