2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide

C12H21BrN2O4S — CID 106067533

IUPAC2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)CCOC)c(Br)o1
InChIInChI=1S/C12H21BrN2O4S/c1-4-14-8-10-7-11(12(13)19-10)20(16,17)15-9(2)5-6-18-3/h7,9,14-15H,4-6,8H2,1-3H3
InChIKeyROTZKRPZXWBHNN-UHFFFAOYSA-N
MW369.28 g/mol
LogP1.85
Rot. Bonds9

About 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide (PubChem CID 106067533) has the molecular formula C12H21BrN2O4S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
PubChem CID106067533
Molecular FormulaC12H21BrN2O4S
Molecular Weight369.28 g/mol
Exact Mass368.04
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)CCOC)c(Br)o1
InChIInChI=1S/C12H21BrN2O4S/c1-4-14-8-10-7-11(12(13)19-10)20(16,17)15-9(2)5-6-18-3/h7,9,14-15H,4-6,8H2,1-3H3
InChIKeyROTZKRPZXWBHNN-UHFFFAOYSA-N
XLogP1.85
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
CID 106051221
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106080199
5-[(cyclopropylamino)methyl]-N-(4-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 106067476
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783
2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106017578
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106018821
2,5-dibromo-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 80708118
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide (CID 106067533) is 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(C)CCOC)c(Br)o1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide?
The InChIKey is ROTZKRPZXWBHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O4S/c1-4-14-8-10-7-11(12(13)19-10)20(16,17)15-9(2)5-6-18-3/h7,9,14-15H,4-6,8H2,1-3H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide has a molecular weight of 369.28 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106067533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).