5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide

C12H12BrClN2O4S — CID 106059610

IUPAC5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C12H12BrClN2O4S/c1-19-10-3-2-7(14)4-9(10)16-21(17,18)11-5-8(6-15)20-12(11)13/h2-5,16H,6,15H2,1H3
InChIKeyAKMVRGBQQPPEMB-UHFFFAOYSA-N
MW395.66 g/mol
LogP2.96
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide (PubChem CID 106059610) has the molecular formula C12H12BrClN2O4S and a molecular weight of 395.66 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
PubChem CID106059610
Molecular FormulaC12H12BrClN2O4S
Molecular Weight395.66 g/mol
Exact Mass393.94
IUPAC Name5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C12H12BrClN2O4S/c1-19-10-3-2-7(14)4-9(10)16-21(17,18)11-5-8(6-15)20-12(11)13/h2-5,16H,6,15H2,1H3
InChIKeyAKMVRGBQQPPEMB-UHFFFAOYSA-N
XLogP2.96
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.66
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280
5-(aminomethyl)-2-bromo-N-(5-chloro-2-fluorophenyl)furan-3-sulfonamide
CID 106030356
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
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-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
5-(aminomethyl)-2-bromo-N-(2,6-dichloro-4-fluorophenyl)furan-3-sulfonamide
CID 106075609
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide (CID 106059610) is 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide?
The InChIKey is AKMVRGBQQPPEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O4S/c1-19-10-3-2-7(14)4-9(10)16-21(17,18)11-5-8(6-15)20-12(11)13/h2-5,16H,6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide has a molecular weight of 395.66 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide is sourced from PubChem (CID 106059610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).