5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide

C12H17BrN2O4S — CID 65374860

IUPAC5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)oc1Br
InChIInChI=1S/C12H17BrN2O4S/c13-11-10(20(14,17)18)7-9(19-11)12(16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,15,16)(H2,14,17,18)
InChIKeyBKRLIZFPJCRYIX-UHFFFAOYSA-N
MW365.25 g/mol
LogP2.14
Rot. Bonds3

About 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide

5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide (PubChem CID 65374860) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
PubChem CID65374860
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)oc1Br
InChIInChI=1S/C12H17BrN2O4S/c13-11-10(20(14,17)18)7-9(19-11)12(16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,15,16)(H2,14,17,18)
InChIKeyBKRLIZFPJCRYIX-UHFFFAOYSA-N
XLogP2.14
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
5-bromo-N-(2,2-dimethylcyclopropyl)-4-sulfamoylfuran-2-carboxamide
CID 65388249
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide
CID 65380589
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230045
5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
CID 79359692
(2-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382680
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
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-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 79558158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide (CID 65374860) is 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide is NS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)oc1Br.
What is the InChIKey of 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide?
The InChIKey is BKRLIZFPJCRYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c13-11-10(20(14,17)18)7-9(19-11)12(16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,15,16)(H2,14,17,18).
What are the key properties of 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide?
5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 65374860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).