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

C13H15FN4O5S — CID 122252837

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(OC)c(F)c2)nc(OC)n1
InChIInChI=1S/C13H15FN4O5S/c1-21-10-5-4-8(6-9(10)14)24(19,20)15-7-11-16-12(22-2)18-13(17-11)23-3/h4-6,15H,7H2,1-3H3
InChIKeyHUKRASFBFKOHGD-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.51
Rot. Bonds7

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

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 122252837) has the molecular formula C13H15FN4O5S and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID122252837
Molecular FormulaC13H15FN4O5S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc(OC)c(F)c2)nc(OC)n1
InChIInChI=1S/C13H15FN4O5S/c1-21-10-5-4-8(6-9(10)14)24(19,20)15-7-11-16-12(22-2)18-13(17-11)23-3/h4-6,15H,7H2,1-3H3
InChIKeyHUKRASFBFKOHGD-UHFFFAOYSA-N
XLogP0.51
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122322382
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 122252830
3-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883492
3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253471
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 5310095
3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122252827
3-fluoro-4-methoxy-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 99837652
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122252851

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 122252837) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1nc(CNS(=O)(=O)c2ccc(OC)c(F)c2)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is HUKRASFBFKOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O5S/c1-21-10-5-4-8(6-9(10)14)24(19,20)15-7-11-16-12(22-2)18-13(17-11)23-3/h4-6,15H,7H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 358.35 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122252837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).