5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide

C13H15BrN2O4S — CID 106048841

IUPAC5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C13H15BrN2O4S/c1-2-19-11-6-4-3-5-10(11)16-21(17,18)12-7-9(8-15)20-13(12)14/h3-7,16H,2,8,15H2,1H3
InChIKeyBEPPGUHOYVYDCX-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.70
Rot. Bonds6

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

5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide (PubChem CID 106048841) has the molecular formula C13H15BrN2O4S and a molecular weight of 375.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
PubChem CID106048841
Molecular FormulaC13H15BrN2O4S
Molecular Weight375.24 g/mol
Exact Mass373.99
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C13H15BrN2O4S/c1-2-19-11-6-4-3-5-10(11)16-21(17,18)12-7-9(8-15)20-13(12)14/h3-7,16H,2,8,15H2,1H3
InChIKeyBEPPGUHOYVYDCX-UHFFFAOYSA-N
XLogP2.70
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methoxyphenyl)furan-3-sulfonamide
CID 106059610
5-(aminomethyl)-2-bromo-N-(2,3,4-trifluorophenyl)furan-3-sulfonamide
CID 106057989
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
CID 106055076
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
5-(aminomethyl)-2-bromo-N-(5-chloro-2-fluorophenyl)furan-3-sulfonamide
CID 106030356
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide (CID 106048841) is 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide?
The InChIKey is BEPPGUHOYVYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4S/c1-2-19-11-6-4-3-5-10(11)16-21(17,18)12-7-9(8-15)20-13(12)14/h3-7,16H,2,8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide has a molecular weight of 375.24 g/mol, XLogP of 2.70, 6 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-(2-ethoxyphenyl)furan-3-sulfonamide is sourced from PubChem (CID 106048841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).