2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide

C9H10BrN3O5S — CID 106410644

IUPAC2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1cc(CO)oc1Br
InChIInChI=1S/C9H10BrN3O5S/c10-9-7(3-6(4-14)18-9)19(15,16)12-2-1-8-11-5-17-13-8/h3,5,12,14H,1-2,4H2
InChIKeyBQRPTDCBVMLQOV-UHFFFAOYSA-N
MW352.17 g/mol
LogP0.44
Rot. Bonds6

About 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide (PubChem CID 106410644) has the molecular formula C9H10BrN3O5S and a molecular weight of 352.17 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
PubChem CID106410644
Molecular FormulaC9H10BrN3O5S
Molecular Weight352.17 g/mol
Exact Mass350.95
IUPAC Name2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1cc(CO)oc1Br
InChIInChI=1S/C9H10BrN3O5S/c10-9-7(3-6(4-14)18-9)19(15,16)12-2-1-8-11-5-17-13-8/h3,5,12,14H,1-2,4H2
InChIKeyBQRPTDCBVMLQOV-UHFFFAOYSA-N
XLogP0.44
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106410619
2-bromo-5-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-sulfonamide
CID 106423526
3-amino-5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392493
5-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392465
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
2-bromo-5-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]furan-3-sulfonamide
CID 106044022
3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106407015
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
3-amino-2-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408060
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408027
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide (CID 106410644) is 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide is O=S(=O)(NCCc1ncon1)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide?
The InChIKey is BQRPTDCBVMLQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O5S/c10-9-7(3-6(4-14)18-9)19(15,16)12-2-1-8-11-5-17-13-8/h3,5,12,14H,1-2,4H2.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide has a molecular weight of 352.17 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106410644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).