N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C14H16N6O5S — CID 122253070

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)nc(N(C)C)n1
InChIInChI=1S/C14H16N6O5S/c1-20(2)12-17-11(18-13(19-12)24-3)7-15-26(22,23)8-4-5-10-9(6-8)16-14(21)25-10/h4-6,15H,7H2,1-3H3,(H,16,21)
InChIKeyKSWVRIIXPZODOA-UHFFFAOYSA-N
MW380.39 g/mol
LogP-0.14
Rot. Bonds6

About N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 122253070) has the molecular formula C14H16N6O5S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID122253070
Molecular FormulaC14H16N6O5S
Molecular Weight380.39 g/mol
Exact Mass380.09
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)nc(N(C)C)n1
InChIInChI=1S/C14H16N6O5S/c1-20(2)12-17-11(18-13(19-12)24-3)7-15-26(22,23)8-4-5-10-9(6-8)16-14(21)25-10/h4-6,15H,7H2,1-3H3,(H,16,21)
InChIKeyKSWVRIIXPZODOA-UHFFFAOYSA-N
XLogP-0.14
TPSA143.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide with MolForge

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Related Compounds

3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122253095
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122317979
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 121137926
N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 121137623
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
CID 121137631
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786834
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 122253070) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is COc1nc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is KSWVRIIXPZODOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O5S/c1-20(2)12-17-11(18-13(19-12)24-3)7-15-26(22,23)8-4-5-10-9(6-8)16-14(21)25-10/h4-6,15H,7H2,1-3H3,(H,16,21).
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 380.39 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122253070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).