5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide

C10H10F2N4O2S — CID 113366501

IUPAC5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide
SMILESCn1c(Cc2cccc(F)c2F)nnc1S(N)(=O)=O
InChIInChI=1S/C10H10F2N4O2S/c1-16-8(14-15-10(16)19(13,17)18)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3,(H2,13,17,18)
InChIKeyHXINPTOKCYSNTJ-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.33
Rot. Bonds3

About 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide

5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide (PubChem CID 113366501) has the molecular formula C10H10F2N4O2S and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide
PubChem CID113366501
Molecular FormulaC10H10F2N4O2S
Molecular Weight288.28 g/mol
Exact Mass288.05
IUPAC Name5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide
SMILESCn1c(Cc2cccc(F)c2F)nnc1S(N)(=O)=O
InChIInChI=1S/C10H10F2N4O2S/c1-16-8(14-15-10(16)19(13,17)18)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3,(H2,13,17,18)
InChIKeyHXINPTOKCYSNTJ-UHFFFAOYSA-N
XLogP0.33
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-tert-butyl-5-[(2,3-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115396561
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430
3-[(2,3-difluorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 115389605
5-[(3,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride
CID 113366215
3-[(2,3-difluorophenyl)methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390110
5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605153
[3-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392285
(2,3-difluorophenyl)methanamine
CID 2736941
3-[(2,3-difluorophenyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791536
3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392560
2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]acetic acid
CID 107461349

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide (CID 113366501) is 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide is Cn1c(Cc2cccc(F)c2F)nnc1S(N)(=O)=O.
What is the InChIKey of 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is HXINPTOKCYSNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2S/c1-16-8(14-15-10(16)19(13,17)18)5-6-3-2-4-7(11)9(6)12/h2-4H,5H2,1H3,(H2,13,17,18).
What are the key properties of 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide?
5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 288.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).