2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide

C9H9BrN2O5S — CID 106423589

IUPAC2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCc1ccno1)c1cc(CO)oc1Br
InChIInChI=1S/C9H9BrN2O5S/c10-9-8(3-7(5-13)16-9)18(14,15)12-4-6-1-2-11-17-6/h1-3,12-13H,4-5H2
InChIKeyGAYJGSGIZZWKEC-UHFFFAOYSA-N
MW337.15 g/mol
LogP1.00
Rot. Bonds5

About 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide (PubChem CID 106423589) has the molecular formula C9H9BrN2O5S and a molecular weight of 337.15 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
PubChem CID106423589
Molecular FormulaC9H9BrN2O5S
Molecular Weight337.15 g/mol
Exact Mass335.94
IUPAC Name2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCc1ccno1)c1cc(CO)oc1Br
InChIInChI=1S/C9H9BrN2O5S/c10-9-8(3-7(5-13)16-9)18(14,15)12-4-6-1-2-11-17-6/h1-3,12-13H,4-5H2
InChIKeyGAYJGSGIZZWKEC-UHFFFAOYSA-N
XLogP1.00
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423571
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423616
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
CID 79237854
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 104600366
4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419547
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423582
2-bromo-5-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-sulfonamide
CID 106423526
5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
CID 103940604
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide (CID 106423589) is 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide is O=S(=O)(NCc1ccno1)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
The InChIKey is GAYJGSGIZZWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O5S/c10-9-8(3-7(5-13)16-9)18(14,15)12-4-6-1-2-11-17-6/h1-3,12-13H,4-5H2.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide has a molecular weight of 337.15 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106423589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).