N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide

C12H15BrN2O4S — CID 65380589

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CC3CCC2C3)oc1Br
InChIInChI=1S/C12H15BrN2O4S/c13-11-10(20(14,17)18)5-9(19-11)12(16)15-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,15,16)(H2,14,17,18)
InChIKeyPKAUOPPOTNPSGH-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.61
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide (PubChem CID 65380589) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide
PubChem CID65380589
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CC3CCC2C3)oc1Br
InChIInChI=1S/C12H15BrN2O4S/c13-11-10(20(14,17)18)5-9(19-11)12(16)15-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,15,16)(H2,14,17,18)
InChIKeyPKAUOPPOTNPSGH-UHFFFAOYSA-N
XLogP1.61
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
CID 65374860
5-bromo-N-(2,2-dimethylcyclopropyl)-4-sulfamoylfuran-2-carboxamide
CID 65388249
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946
5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
CID 79359692
5-methyl-4-sulfamoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)furan-2-carboxamide
CID 103767080
5-bromo-N,N-bis(cyclopropylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65381791
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
CID 113458101
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide (CID 65380589) is N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide is NS(=O)(=O)c1cc(C(=O)NC2CC3CCC2C3)oc1Br.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide?
The InChIKey is PKAUOPPOTNPSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c13-11-10(20(14,17)18)5-9(19-11)12(16)15-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide has a molecular weight of 363.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 65380589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).