5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide

C11H8BrF3N2O3S — CID 106057989

IUPAC5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(Br)o1
InChIInChI=1S/C11H8BrF3N2O3S/c12-11-8(3-5(4-16)20-11)21(18,19)17-7-2-1-6(13)9(14)10(7)15/h1-3,17H,4,16H2
InChIKeyHLFKWBKDJBYHGE-UHFFFAOYSA-N
MW385.16 g/mol
LogP2.72
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide (PubChem CID 106057989) has the molecular formula C11H8BrF3N2O3S and a molecular weight of 385.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide
PubChem CID106057989
Molecular FormulaC11H8BrF3N2O3S
Molecular Weight385.16 g/mol
Exact Mass383.94
IUPAC Name5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(Br)o1
InChIInChI=1S/C11H8BrF3N2O3S/c12-11-8(3-5(4-16)20-11)21(18,19)17-7-2-1-6(13)9(14)10(7)15/h1-3,17H,4,16H2
InChIKeyHLFKWBKDJBYHGE-UHFFFAOYSA-N
XLogP2.72
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-bromo-N-(5-chloro-2-fluorophenyl)furan-3-sulfonamide
CID 106030356
5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
CID 106059610
5-(aminomethyl)-2-bromo-N-(2,6-dichloro-4-fluorophenyl)furan-3-sulfonamide
CID 106075609
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-bromo-N-(3-bromo-2-pyridinyl)furan-3-sulfonamide
CID 106062158
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide (CID 106057989) is 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(Br)o1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide?
The InChIKey is HLFKWBKDJBYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O3S/c12-11-8(3-5(4-16)20-11)21(18,19)17-7-2-1-6(13)9(14)10(7)15/h1-3,17H,4,16H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide has a molecular weight of 385.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide is sourced from PubChem (CID 106057989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).