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

C14H16N4O5S — CID 122252827

IUPAC3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cccc(C(C)=O)c2)nc(OC)n1
InChIInChI=1S/C14H16N4O5S/c1-9(19)10-5-4-6-11(7-10)24(20,21)15-8-12-16-13(22-2)18-14(17-12)23-3/h4-7,15H,8H2,1-3H3
InChIKeyWDCVXSZSUZYZCH-UHFFFAOYSA-N
MW352.37 g/mol
LogP0.57
Rot. Bonds7

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

3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (PubChem CID 122252827) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
PubChem CID122252827
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Name3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2cccc(C(C)=O)c2)nc(OC)n1
InChIInChI=1S/C14H16N4O5S/c1-9(19)10-5-4-6-11(7-10)24(20,21)15-8-12-16-13(22-2)18-14(17-12)23-3/h4-7,15H,8H2,1-3H3
InChIKeyWDCVXSZSUZYZCH-UHFFFAOYSA-N
XLogP0.57
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
3-acetyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318630
3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (CID 122252827) is 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is COc1nc(CNS(=O)(=O)c2cccc(C(C)=O)c2)nc(OC)n1.
What is the InChIKey of 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is WDCVXSZSUZYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S/c1-9(19)10-5-4-6-11(7-10)24(20,21)15-8-12-16-13(22-2)18-14(17-12)23-3/h4-7,15H,8H2,1-3H3.
What are the key properties of 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 352.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122252827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).