2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide

C12H14BrNO4S2 — CID 79488126

IUPAC2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H14BrNO4S2/c1-14(5-4-10-3-2-6-19-10)20(16,17)11-7-9(8-15)18-12(11)13/h2-3,6-7,15H,4-5,8H2,1H3
InChIKeyGHQKMWGZZVHPOL-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.46
Rot. Bonds6

About 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide (PubChem CID 79488126) has the molecular formula C12H14BrNO4S2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
PubChem CID79488126
Molecular FormulaC12H14BrNO4S2
Molecular Weight380.29 g/mol
Exact Mass378.95
IUPAC Name2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H14BrNO4S2/c1-14(5-4-10-3-2-6-19-10)20(16,17)11-7-9(8-15)18-12(11)13/h2-3,6-7,15H,4-5,8H2,1H3
InChIKeyGHQKMWGZZVHPOL-UHFFFAOYSA-N
XLogP2.46
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
CID 79864357
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79488125
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79489921
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide (CID 79488126) is 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide is CN(CCc1cccs1)S(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide?
The InChIKey is GHQKMWGZZVHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4S2/c1-14(5-4-10-3-2-6-19-10)20(16,17)11-7-9(8-15)18-12(11)13/h2-3,6-7,15H,4-5,8H2,1H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide has a molecular weight of 380.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide is sourced from PubChem (CID 79488126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).