1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

C6H10F2N4O2S — CID 64511128

IUPAC1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)C(F)F)n[nH]1
InChIInChI=1S/C6H10F2N4O2S/c1-4-9-5(11-10-4)3-12(2)15(13,14)6(7)8/h6H,3H2,1-2H3,(H,9,10,11)
InChIKeyLQNVLFBGKFWVJK-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.10
Rot. Bonds4

About 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (PubChem CID 64511128) has the molecular formula C6H10F2N4O2S and a molecular weight of 240.23 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
PubChem CID64511128
Molecular FormulaC6H10F2N4O2S
Molecular Weight240.23 g/mol
Exact Mass240.05
IUPAC Name1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)C(F)F)n[nH]1
InChIInChI=1S/C6H10F2N4O2S/c1-4-9-5(11-10-4)3-12(2)15(13,14)6(7)8/h6H,3H2,1-2H3,(H,9,10,11)
InChIKeyLQNVLFBGKFWVJK-UHFFFAOYSA-N
XLogP0.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (CID 64511128) is 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is Cc1nc(CN(C)S(=O)(=O)C(F)F)n[nH]1.
What is the InChIKey of 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The InChIKey is LQNVLFBGKFWVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4O2S/c1-4-9-5(11-10-4)3-12(2)15(13,14)6(7)8/h6H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide has a molecular weight of 240.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 64511128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).