5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C11H10BrFN2O4S — CID 106423571

IUPAC5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccno1)c1cc(Br)cc(CO)c1F
InChIInChI=1S/C11H10BrFN2O4S/c12-8-3-7(6-16)11(13)10(4-8)20(17,18)15-5-9-1-2-14-19-9/h1-4,15-16H,5-6H2
InChIKeyWFAAZKPGCVNGDO-UHFFFAOYSA-N
MW365.18 g/mol
LogP1.55
Rot. Bonds5

About 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106423571) has the molecular formula C11H10BrFN2O4S and a molecular weight of 365.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106423571
Molecular FormulaC11H10BrFN2O4S
Molecular Weight365.18 g/mol
Exact Mass363.95
IUPAC Name5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccno1)c1cc(Br)cc(CO)c1F
InChIInChI=1S/C11H10BrFN2O4S/c12-8-3-7(6-16)11(13)10(4-8)20(17,18)15-5-9-1-2-14-19-9/h1-4,15-16H,5-6H2
InChIKeyWFAAZKPGCVNGDO-UHFFFAOYSA-N
XLogP1.55
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423616
5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 104600366
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423582
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
3-(hydroxymethyl)-4-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423599
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
5-bromo-2-fluoro-3-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106002264
2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
CID 103940604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106423571) is 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccno1)c1cc(Br)cc(CO)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is WFAAZKPGCVNGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O4S/c12-8-3-7(6-16)11(13)10(4-8)20(17,18)15-5-9-1-2-14-19-9/h1-4,15-16H,5-6H2.
What are the key properties of 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 365.18 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106423571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).