2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide

C12H21BrN2O5S — CID 106051221

IUPAC2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCOCCOC)c(Br)o1
InChIInChI=1S/C12H21BrN2O5S/c1-3-14-9-10-8-11(12(13)20-10)21(16,17)15-4-5-19-7-6-18-2/h8,14-15H,3-7,9H2,1-2H3
InChIKeyIUGNSLPHOXEKPN-UHFFFAOYSA-N
MW385.28 g/mol
LogP1.09
Rot. Bonds11

About 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide (PubChem CID 106051221) has the molecular formula C12H21BrN2O5S and a molecular weight of 385.28 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
PubChem CID106051221
Molecular FormulaC12H21BrN2O5S
Molecular Weight385.28 g/mol
Exact Mass384.04
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCOCCOC)c(Br)o1
InChIInChI=1S/C12H21BrN2O5S/c1-3-14-9-10-8-11(12(13)20-10)21(16,17)15-4-5-19-7-6-18-2/h8,14-15H,3-7,9H2,1-2H3
InChIKeyIUGNSLPHOXEKPN-UHFFFAOYSA-N
XLogP1.09
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106017578
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
2-hydroxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81241088
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
2-bromo-N-(1,4-dioxan-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106016690
2-bromo-N-(1,4-dithian-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106078422
2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
CID 106029405
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide (CID 106051221) is 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCOCCOC)c(Br)o1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide?
The InChIKey is IUGNSLPHOXEKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O5S/c1-3-14-9-10-8-11(12(13)20-10)21(16,17)15-4-5-19-7-6-18-2/h8,14-15H,3-7,9H2,1-2H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide has a molecular weight of 385.28 g/mol, XLogP of 1.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106051221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).