5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide

C9H13BrN2O5S2 — CID 113484536

IUPAC5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
SMILESCC(CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1)S(C)=O
InChIInChI=1S/C9H13BrN2O5S2/c1-5(18(2)14)4-12-9(13)6-3-7(8(10)17-6)19(11,15)16/h3,5H,4H2,1-2H3,(H,12,13)(H2,11,15,16)
InChIKeyLGLZWZMCLXXYGG-UHFFFAOYSA-N
MW373.25 g/mol
LogP0.19
Rot. Bonds5

About 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide

5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide (PubChem CID 113484536) has the molecular formula C9H13BrN2O5S2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
PubChem CID113484536
Molecular FormulaC9H13BrN2O5S2
Molecular Weight373.25 g/mol
Exact Mass371.94
IUPAC Name5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
SMILESCC(CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1)S(C)=O
InChIInChI=1S/C9H13BrN2O5S2/c1-5(18(2)14)4-12-9(13)6-3-7(8(10)17-6)19(11,15)16/h3,5H,4H2,1-2H3,(H,12,13)(H2,11,15,16)
InChIKeyLGLZWZMCLXXYGG-UHFFFAOYSA-N
XLogP0.19
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide (CID 113484536) is 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide is CC(CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1)S(C)=O.
What is the InChIKey of 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
The InChIKey is LGLZWZMCLXXYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O5S2/c1-5(18(2)14)4-12-9(13)6-3-7(8(10)17-6)19(11,15)16/h3,5H,4H2,1-2H3,(H,12,13)(H2,11,15,16).
What are the key properties of 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide?
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 113484536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).