2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide

C13H23BrN2O3S — CID 106066783

IUPAC2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)c1cc(CNC)oc1Br
InChIInChI=1S/C13H23BrN2O3S/c1-5-9(2)6-10(3)16-20(17,18)12-7-11(8-15-4)19-13(12)14/h7,9-10,15-16H,5-6,8H2,1-4H3
InChIKeyOFLUEPHZLMSTPH-UHFFFAOYSA-N
MW367.31 g/mol
LogP2.86
Rot. Bonds8

About 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide (PubChem CID 106066783) has the molecular formula C13H23BrN2O3S and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
PubChem CID106066783
Molecular FormulaC13H23BrN2O3S
Molecular Weight367.31 g/mol
Exact Mass366.06
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)c1cc(CNC)oc1Br
InChIInChI=1S/C13H23BrN2O3S/c1-5-9(2)6-10(3)16-20(17,18)12-7-11(8-15-4)19-13(12)14/h7,9-10,15-16H,5-6,8H2,1-4H3
InChIKeyOFLUEPHZLMSTPH-UHFFFAOYSA-N
XLogP2.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
4-bromo-2-fluoro-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 116528688
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
CID 106052222
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106018821
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075338
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide (CID 106066783) is 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide is CCC(C)CC(C)NS(=O)(=O)c1cc(CNC)oc1Br.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide?
The InChIKey is OFLUEPHZLMSTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O3S/c1-5-9(2)6-10(3)16-20(17,18)12-7-11(8-15-4)19-13(12)14/h7,9-10,15-16H,5-6,8H2,1-4H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide has a molecular weight of 367.31 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106066783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).