5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide

C13H14BrNO4S — CID 8817696

IUPAC5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccco1
InChIInChI=1S/C13H14BrNO4S/c1-9(11-4-3-7-19-11)15-20(16,17)13-8-10(14)5-6-12(13)18-2/h3-9,15H,1-2H3/t9-/m1/s1
InChIKeySWBPQIYTJXAIQN-SECBINFHSA-N
MW360.23 g/mol
LogP3.09
Rot. Bonds5

About 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide

5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 8817696) has the molecular formula C13H14BrNO4S and a molecular weight of 360.23 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID8817696
Molecular FormulaC13H14BrNO4S
Molecular Weight360.23 g/mol
Exact Mass358.98
IUPAC Name5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccco1
InChIInChI=1S/C13H14BrNO4S/c1-9(11-4-3-7-19-11)15-20(16,17)13-8-10(14)5-6-12(13)18-2/h3-9,15H,1-2H3/t9-/m1/s1
InChIKeySWBPQIYTJXAIQN-SECBINFHSA-N
XLogP3.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide 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

5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
5-bromo-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652261
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 55352646
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590
5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 24511478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide (CID 8817696) is 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccco1.
What is the InChIKey of 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is SWBPQIYTJXAIQN-SECBINFHSA-N. The full InChI is InChI=1S/C13H14BrNO4S/c1-9(11-4-3-7-19-11)15-20(16,17)13-8-10(14)5-6-12(13)18-2/h3-9,15H,1-2H3/t9-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 360.23 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 8817696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).