3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C10H10FN5O2S — CID 114387255

IUPAC3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nccnn2)ccc1F
InChIInChI=1S/C10H10FN5O2S/c11-9-2-1-8(5-7(9)6-12)19(17,18)16-10-13-3-4-14-15-10/h1-5H,6,12H2,(H,13,15,16)
InChIKeyYSWQMYRXBIMDJT-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.27
Rot. Bonds4

About 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide

3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114387255) has the molecular formula C10H10FN5O2S and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114387255
Molecular FormulaC10H10FN5O2S
Molecular Weight283.29 g/mol
Exact Mass283.05
IUPAC Name3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nccnn2)ccc1F
InChIInChI=1S/C10H10FN5O2S/c11-9-2-1-8(5-7(9)6-12)19(17,18)16-10-13-3-4-14-15-10/h1-5H,6,12H2,(H,13,15,16)
InChIKeyYSWQMYRXBIMDJT-UHFFFAOYSA-N
XLogP0.27
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
3-(aminomethyl)-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 106029558
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951
5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081990
3-(aminomethyl)-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060889
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonylamino]ethylurea
CID 83117043
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081921
1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387248
3-(aminomethyl)-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106061491
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114387255) is 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide is NCc1cc(S(=O)(=O)Nc2nccnn2)ccc1F.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is YSWQMYRXBIMDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2S/c11-9-2-1-8(5-7(9)6-12)19(17,18)16-10-13-3-4-14-15-10/h1-5H,6,12H2,(H,13,15,16).
What are the key properties of 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 283.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114387255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).