2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide

C13H21BrN2O4S — CID 106076177

IUPAC2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCOC2C)c(Br)o1
InChIInChI=1S/C13H21BrN2O4S/c1-3-5-15-8-10-7-12(13(14)20-10)21(17,18)16-11-4-6-19-9(11)2/h7,9,11,15-16H,3-6,8H2,1-2H3
InChIKeySOLJJVNRPJFTIM-UHFFFAOYSA-N
MW381.29 g/mol
LogP2.00
Rot. Bonds7

About 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide

2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide (PubChem CID 106076177) has the molecular formula C13H21BrN2O4S and a molecular weight of 381.29 g/mol. Its IUPAC name is 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
PubChem CID106076177
Molecular FormulaC13H21BrN2O4S
Molecular Weight381.29 g/mol
Exact Mass380.04
IUPAC Name2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC2CCOC2C)c(Br)o1
InChIInChI=1S/C13H21BrN2O4S/c1-3-5-15-8-10-7-12(13(14)20-10)21(17,18)16-11-4-6-19-9(11)2/h7,9,11,15-16H,3-6,8H2,1-2H3
InChIKeySOLJJVNRPJFTIM-UHFFFAOYSA-N
XLogP2.00
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106018821
5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 82729058
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106082750
2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076318
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide (CID 106076177) is 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC2CCOC2C)c(Br)o1.
What is the InChIKey of 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
The InChIKey is SOLJJVNRPJFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O4S/c1-3-5-15-8-10-7-12(13(14)20-10)21(17,18)16-11-4-6-19-9(11)2/h7,9,11,15-16H,3-6,8H2,1-2H3.
What are the key properties of 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide?
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide has a molecular weight of 381.29 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106076177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).