4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide

C13H15BrN2O3S — CID 106061164

IUPAC4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccccc2Br)c1CN
InChIInChI=1S/C13H15BrN2O3S/c1-8-10(7-15)13(9(2)19-8)20(17,18)16-12-6-4-3-5-11(12)14/h3-6,16H,7,15H2,1-2H3
InChIKeyCRZHXNDOXFBJCL-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.92
Rot. Bonds4

About 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide

4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106061164) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID106061164
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccccc2Br)c1CN
InChIInChI=1S/C13H15BrN2O3S/c1-8-10(7-15)13(9(2)19-8)20(17,18)16-12-6-4-3-5-11(12)14/h3-6,16H,7,15H2,1-2H3
InChIKeyCRZHXNDOXFBJCL-UHFFFAOYSA-N
XLogP2.92
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106037013
4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106061259
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106087975
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328567
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
CID 21210098
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
2-bromo-N-(methylsulfamoyl)aniline
CID 71126560

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide (CID 106061164) is 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)Nc2ccccc2Br)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is CRZHXNDOXFBJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-8-10(7-15)13(9(2)19-8)20(17,18)16-12-6-4-3-5-11(12)14/h3-6,16H,7,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide?
4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106061164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).