5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide

C12H12BrFN2O3S — CID 106067078

IUPAC5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H12BrFN2O3S/c1-7-12(5-9(6-15)19-7)20(17,18)16-8-2-3-10(13)11(14)4-8/h2-5,16H,6,15H2,1H3
InChIKeyCAAIYDMXBIZITH-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.75
Rot. Bonds4

About 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide (PubChem CID 106067078) has the molecular formula C12H12BrFN2O3S and a molecular weight of 363.21 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide
PubChem CID106067078
Molecular FormulaC12H12BrFN2O3S
Molecular Weight363.21 g/mol
Exact Mass361.97
IUPAC Name5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H12BrFN2O3S/c1-7-12(5-9(6-15)19-7)20(17,18)16-8-2-3-10(13)11(14)4-8/h2-5,16H,6,15H2,1H3
InChIKeyCAAIYDMXBIZITH-UHFFFAOYSA-N
XLogP2.75
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide 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-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
4-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106067063
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106087695
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
CID 106072933
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
CID 106002777
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)furan-3-sulfonamide
CID 106086878
5-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylfuran-3-sulfonamide
CID 106055528

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide (CID 106067078) is 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide?
The InChIKey is CAAIYDMXBIZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O3S/c1-7-12(5-9(6-15)19-7)20(17,18)16-8-2-3-10(13)11(14)4-8/h2-5,16H,6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide has a molecular weight of 363.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106067078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).