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

C13H16FN3O3S — CID 106378168

IUPAC4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2ncc(C)o2)ccc1F
InChIInChI=1S/C13H16FN3O3S/c1-9-6-16-13(20-9)8-17-21(18,19)11-3-4-12(14)10(5-11)7-15-2/h3-6,15,17H,7-8H2,1-2H3
InChIKeyZTFSMEWLAOMERE-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.32
Rot. Bonds6

About 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106378168) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106378168
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2ncc(C)o2)ccc1F
InChIInChI=1S/C13H16FN3O3S/c1-9-6-16-13(20-9)8-17-21(18,19)11-3-4-12(14)10(5-11)7-15-2/h3-6,15,17H,7-8H2,1-2H3
InChIKeyZTFSMEWLAOMERE-UHFFFAOYSA-N
XLogP1.32
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378093
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
4-fluoro-3-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660652
4-fluoro-3-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013328
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 106370356
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
2-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 104654766
4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089510
N-[2-(dimethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032493

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106378168) is 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is CNCc1cc(S(=O)(=O)NCc2ncc(C)o2)ccc1F.
What is the InChIKey of 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZTFSMEWLAOMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-9-6-16-13(20-9)8-17-21(18,19)11-3-4-12(14)10(5-11)7-15-2/h3-6,15,17H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 313.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106378168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).