5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide

C10H15BrN2O6S2 — CID 79558158

IUPAC5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1)S(C)(=O)=O
InChIInChI=1S/C10H15BrN2O6S2/c1-10(2,20(3,15)16)5-13-9(14)6-4-7(8(11)19-6)21(12,17)18/h4H,5H2,1-3H3,(H,13,14)(H2,12,17,18)
InChIKeyVWQQAJMUPVBNOO-UHFFFAOYSA-N
MW403.28 g/mol
LogP0.24
Rot. Bonds5

About 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide

5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide (PubChem CID 79558158) has the molecular formula C10H15BrN2O6S2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
PubChem CID79558158
Molecular FormulaC10H15BrN2O6S2
Molecular Weight403.28 g/mol
Exact Mass401.96
IUPAC Name5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1)S(C)(=O)=O
InChIInChI=1S/C10H15BrN2O6S2/c1-10(2,20(3,15)16)5-13-9(14)6-4-7(8(11)19-6)21(12,17)18/h4H,5H2,1-3H3,(H,13,14)(H2,12,17,18)
InChIKeyVWQQAJMUPVBNOO-UHFFFAOYSA-N
XLogP0.24
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
CID 79359692
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 113484536
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
CID 113458101
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388437
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946
2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381468
tert-butyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65379816
5-bromo-N-(2,2-dimethylcyclopropyl)-4-sulfamoylfuran-2-carboxamide
CID 65388249
5-bromo-N-(2-methoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387444
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
CID 65374860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide (CID 79558158) is 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide is CC(C)(CNC(=O)c1cc(S(N)(=O)=O)c(Br)o1)S(C)(=O)=O.
What is the InChIKey of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide?
The InChIKey is VWQQAJMUPVBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O6S2/c1-10(2,20(3,15)16)5-13-9(14)6-4-7(8(11)19-6)21(12,17)18/h4H,5H2,1-3H3,(H,13,14)(H2,12,17,18).
What are the key properties of 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide?
5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 79558158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).