5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

C12H13FN2O4S — CID 102919819

IUPAC5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(F)ccc2CO)on1
InChIInChI=1S/C12H13FN2O4S/c1-8-4-11(19-15-8)6-14-20(17,18)12-5-10(13)3-2-9(12)7-16/h2-5,14,16H,6-7H2,1H3
InChIKeyFJCNGDCSJXDNBG-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.09
Rot. Bonds5

About 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 102919819) has the molecular formula C12H13FN2O4S and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID102919819
Molecular FormulaC12H13FN2O4S
Molecular Weight300.31 g/mol
Exact Mass300.06
IUPAC Name5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(F)ccc2CO)on1
InChIInChI=1S/C12H13FN2O4S/c1-8-4-11(19-15-8)6-14-20(17,18)12-5-10(13)3-2-9(12)7-16/h2-5,14,16H,6-7H2,1H3
InChIKeyFJCNGDCSJXDNBG-UHFFFAOYSA-N
XLogP1.09
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 102919966
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102919744
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79179657
5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985
1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 62135129
3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79888991
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
3-amino-4-bromo-5-chloro-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 103077431
4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
CID 48944715
3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 102919819) is 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2cc(F)ccc2CO)on1.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is FJCNGDCSJXDNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S/c1-8-4-11(19-15-8)6-14-20(17,18)12-5-10(13)3-2-9(12)7-16/h2-5,14,16H,6-7H2,1H3.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 300.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 102919819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).