5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide

C11H17BrN2O4S — CID 113458101

IUPAC5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)c(Br)o1)C(C)(C)C
InChIInChI=1S/C11H17BrN2O4S/c1-6(11(2,3)4)14-10(15)7-5-8(9(12)18-7)19(13,16)17/h5-6H,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyUJESGJRBGDUCLN-UHFFFAOYSA-N
MW353.24 g/mol
LogP1.85
Rot. Bonds3

About 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide

5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide (PubChem CID 113458101) has the molecular formula C11H17BrN2O4S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
PubChem CID113458101
Molecular FormulaC11H17BrN2O4S
Molecular Weight353.24 g/mol
Exact Mass352.01
IUPAC Name5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)c(Br)o1)C(C)(C)C
InChIInChI=1S/C11H17BrN2O4S/c1-6(11(2,3)4)14-10(15)7-5-8(9(12)18-7)19(13,16)17/h5-6H,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyUJESGJRBGDUCLN-UHFFFAOYSA-N
XLogP1.85
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 79558158
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 113484536
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
tert-butyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65379816
5-bromo-N-(2,2-dimethylcyclopropyl)-4-sulfamoylfuran-2-carboxamide
CID 65388249
5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
CID 79359692
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388437
2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65371395
2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381468
3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 104830398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide (CID 113458101) is 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide is CC(NC(=O)c1cc(S(N)(=O)=O)c(Br)o1)C(C)(C)C.
What is the InChIKey of 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide?
The InChIKey is UJESGJRBGDUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O4S/c1-6(11(2,3)4)14-10(15)7-5-8(9(12)18-7)19(13,16)17/h5-6H,1-4H3,(H,14,15)(H2,13,16,17).
What are the key properties of 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide?
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide has a molecular weight of 353.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 113458101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).