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

C13H21BrN2O3S — CID 106002889

IUPAC5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C13H21BrN2O3S/c1-2-9-5-3-4-6-11(9)16-20(17,18)12-7-10(8-15)19-13(12)14/h7,9,11,16H,2-6,8,15H2,1H3
InChIKeyDETBRGNGTWJJJU-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.75
Rot. Bonds5

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

5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide (PubChem CID 106002889) has the molecular formula C13H21BrN2O3S and a molecular weight of 365.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
PubChem CID106002889
Molecular FormulaC13H21BrN2O3S
Molecular Weight365.29 g/mol
Exact Mass364.05
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C13H21BrN2O3S/c1-2-9-5-3-4-6-11(9)16-20(17,18)12-7-10(8-15)19-13(12)14/h7,9,11,16H,2-6,8,15H2,1H3
InChIKeyDETBRGNGTWJJJU-UHFFFAOYSA-N
XLogP2.75
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106090773
5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288721
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-2-sulfonamide
CID 106002921
5-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)-2-methylfuran-3-sulfonamide
CID 106093408

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide (CID 106002889) is 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide is CCC1CCCCC1NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide?
The InChIKey is DETBRGNGTWJJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S/c1-2-9-5-3-4-6-11(9)16-20(17,18)12-7-10(8-15)19-13(12)14/h7,9,11,16H,2-6,8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide has a molecular weight of 365.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide is sourced from PubChem (CID 106002889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).