N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide

C9H13F3N4O4S — CID 122252848

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCOc1nc(CNS(=O)(=O)CCC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H13F3N4O4S/c1-19-7-14-6(15-8(16-7)20-2)5-13-21(17,18)4-3-9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyPJCMCOIMBXAWCH-UHFFFAOYSA-N
MW330.29 g/mol
LogP0.26
Rot. Bonds7

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 122252848) has the molecular formula C9H13F3N4O4S and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID122252848
Molecular FormulaC9H13F3N4O4S
Molecular Weight330.29 g/mol
Exact Mass330.06
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide
SMILESCOc1nc(CNS(=O)(=O)CCC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H13F3N4O4S/c1-19-7-14-6(15-8(16-7)20-2)5-13-21(17,18)4-3-9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyPJCMCOIMBXAWCH-UHFFFAOYSA-N
XLogP0.26
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide (CID 122252848) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide is COc1nc(CNS(=O)(=O)CCC(F)(F)F)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is PJCMCOIMBXAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O4S/c1-19-7-14-6(15-8(16-7)20-2)5-13-21(17,18)4-3-9(10,11)12/h13H,3-5H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 330.29 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 122252848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).