5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide

C13H19BrN2O4S — CID 79359692

IUPAC5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc(S(N)(=O)=O)c(Br)o2)C1(C)C
InChIInChI=1S/C13H19BrN2O4S/c1-12(2)9(13(12,3)4)6-16-11(17)7-5-8(10(14)20-7)21(15,18)19/h5,9H,6H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyNQKKOZVZEFQBQO-UHFFFAOYSA-N
MW379.28 g/mol
LogP2.10
Rot. Bonds4

About 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide

5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide (PubChem CID 79359692) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
PubChem CID79359692
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc(S(N)(=O)=O)c(Br)o2)C1(C)C
InChIInChI=1S/C13H19BrN2O4S/c1-12(2)9(13(12,3)4)6-16-11(17)7-5-8(10(14)20-7)21(15,18)19/h5,9H,6H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyNQKKOZVZEFQBQO-UHFFFAOYSA-N
XLogP2.10
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 79558158
5-bromo-N-(2,2-dimethylcyclopropyl)-4-sulfamoylfuran-2-carboxamide
CID 65388249
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388437
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-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381468
5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
CID 65374860
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide
CID 65380589

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide (CID 79359692) is 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide is CC1(C)C(CNC(=O)c2cc(S(N)(=O)=O)c(Br)o2)C1(C)C.
What is the InChIKey of 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide?
The InChIKey is NQKKOZVZEFQBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-12(2)9(13(12,3)4)6-16-11(17)7-5-8(10(14)20-7)21(15,18)19/h5,9H,6H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide?
5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide has a molecular weight of 379.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 79359692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).