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

C11H9BrCl2N2O3S — CID 106037280

IUPAC5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Br)o1
InChIInChI=1S/C11H9BrCl2N2O3S/c12-11-10(4-7(5-15)19-11)20(17,18)16-9-3-6(13)1-2-8(9)14/h1-4,16H,5,15H2
InChIKeyPXTFJOZLYFDKLU-UHFFFAOYSA-N
MW400.08 g/mol
LogP3.61
Rot. Bonds4

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

5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide (PubChem CID 106037280) has the molecular formula C11H9BrCl2N2O3S and a molecular weight of 400.08 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
PubChem CID106037280
Molecular FormulaC11H9BrCl2N2O3S
Molecular Weight400.08 g/mol
Exact Mass397.89
IUPAC Name5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Br)o1
InChIInChI=1S/C11H9BrCl2N2O3S/c12-11-10(4-7(5-15)19-11)20(17,18)16-9-3-6(13)1-2-8(9)14/h1-4,16H,5,15H2
InChIKeyPXTFJOZLYFDKLU-UHFFFAOYSA-N
XLogP3.61
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.08
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
CID 106059610
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide
CID 106057989
5-(aminomethyl)-2-bromo-N-(2,6-dichloro-4-fluorophenyl)furan-3-sulfonamide
CID 106075609
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)furan-2-sulfonamide
CID 106056693
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106037010
4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106037013
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide (CID 106037280) is 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Br)o1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide?
The InChIKey is PXTFJOZLYFDKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O3S/c12-11-10(4-7(5-15)19-11)20(17,18)16-9-3-6(13)1-2-8(9)14/h1-4,16H,5,15H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide has a molecular weight of 400.08 g/mol, XLogP of 3.61, 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-(2,5-dichlorophenyl)furan-3-sulfonamide is sourced from PubChem (CID 106037280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).