3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C12H14FN3O3S — CID 106423882

IUPAC3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccno2)cc(CN)c1F
InChIInChI=1S/C12H14FN3O3S/c1-8-4-11(5-9(6-14)12(8)13)20(17,18)16-7-10-2-3-15-19-10/h2-5,16H,6-7,14H2,1H3
InChIKeySOLOQVLKFHYTKW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.06
Rot. Bonds5

About 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106423882) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106423882
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccno2)cc(CN)c1F
InChIInChI=1S/C12H14FN3O3S/c1-8-4-11(5-9(6-14)12(8)13)20(17,18)16-7-10-2-3-15-19-10/h2-5,16H,6-7,14H2,1H3
InChIKeySOLOQVLKFHYTKW-UHFFFAOYSA-N
XLogP1.06
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
3-(aminomethyl)-4-fluoro-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 81427952
3-(aminomethyl)-N-tert-butyl-4-fluoro-5-methylbenzenesulfonamide
CID 81435748
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894
3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide
CID 81434906
3-(hydroxymethyl)-4-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423599
3-(aminomethyl)-4-fluoro-5-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486198
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106423882) is 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccno2)cc(CN)c1F.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is SOLOQVLKFHYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-8-4-11(5-9(6-14)12(8)13)20(17,18)16-7-10-2-3-15-19-10/h2-5,16H,6-7,14H2,1H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106423882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).