2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C12H14FN3O3S — CID 106424004

IUPAC2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccno2)c(F)c1
InChIInChI=1S/C12H14FN3O3S/c1-14-7-9-2-3-12(11(13)6-9)20(17,18)16-8-10-4-5-15-19-10/h2-6,14,16H,7-8H2,1H3
InChIKeyPQKNNSHKGSLKCY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.01
Rot. Bonds6

About 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106424004) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106424004
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccno2)c(F)c1
InChIInChI=1S/C12H14FN3O3S/c1-14-7-9-2-3-12(11(13)6-9)20(17,18)16-8-10-4-5-15-19-10/h2-6,14,16H,7-8H2,1H3
InChIKeyPQKNNSHKGSLKCY-UHFFFAOYSA-N
XLogP1.01
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79179657
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79179656
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79180054
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
2-fluoro-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79190551
4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423847
N-[2-(diethylamino)ethyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106034982

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106424004) is 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCc2ccno2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is PQKNNSHKGSLKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-14-7-9-2-3-12(11(13)6-9)20(17,18)16-8-10-4-5-15-19-10/h2-6,14,16H,7-8H2,1H3.
What are the key properties of 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106424004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).