5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide

C10H13BrN2O5S — CID 65374946

IUPAC5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)oc1Br
InChIInChI=1S/C10H13BrN2O5S/c11-9-8(19(12,15)16)4-7(18-9)10(14)13-5-6-2-1-3-17-6/h4,6H,1-3,5H2,(H,13,14)(H2,12,15,16)
InChIKeyVANFWKYCASGXLM-UHFFFAOYSA-N
MW353.19 g/mol
LogP0.60
Rot. Bonds4

About 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide

5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide (PubChem CID 65374946) has the molecular formula C10H13BrN2O5S and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
PubChem CID65374946
Molecular FormulaC10H13BrN2O5S
Molecular Weight353.19 g/mol
Exact Mass351.97
IUPAC Name5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)oc1Br
InChIInChI=1S/C10H13BrN2O5S/c11-9-8(19(12,15)16)4-7(18-9)10(14)13-5-6-2-1-3-17-6/h4,6H,1-3,5H2,(H,13,14)(H2,12,15,16)
InChIKeyVANFWKYCASGXLM-UHFFFAOYSA-N
XLogP0.60
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
CID 79359692
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
CID 65374860
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
2-bromo-4-chloro-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368764
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-4-sulfamoylfuran-2-carboxamide
CID 65380589
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide (CID 65374946) is 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide is NS(=O)(=O)c1cc(C(=O)NCC2CCCO2)oc1Br.
What is the InChIKey of 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide?
The InChIKey is VANFWKYCASGXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O5S/c11-9-8(19(12,15)16)4-7(18-9)10(14)13-5-6-2-1-3-17-6/h4,6H,1-3,5H2,(H,13,14)(H2,12,15,16).
What are the key properties of 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide?
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 65374946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).