2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide

C14H16N6O3S — CID 121137631

IUPAC2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccccc2C#N)nc(N(C)C)n1
InChIInChI=1S/C14H16N6O3S/c1-20(2)13-17-12(18-14(19-13)23-3)9-16-24(21,22)11-7-5-4-6-10(11)8-15/h4-7,16H,9H2,1-3H3
InChIKeyRCHWURORKMUHLM-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.30
Rot. Bonds6

About 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide

2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide (PubChem CID 121137631) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
PubChem CID121137631
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide
SMILESCOc1nc(CNS(=O)(=O)c2ccccc2C#N)nc(N(C)C)n1
InChIInChI=1S/C14H16N6O3S/c1-20(2)13-17-12(18-14(19-13)23-3)9-16-24(21,22)11-7-5-4-6-10(11)8-15/h4-7,16H,9H2,1-3H3
InChIKeyRCHWURORKMUHLM-UHFFFAOYSA-N
XLogP0.30
TPSA121.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 121137624
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
N-[4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylsulfamoyl]-3-methylphenyl]acetamide
CID 121137623
3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122253095
[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
CID 22299268
2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318009
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide (CID 121137631) is 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide is COc1nc(CNS(=O)(=O)c2ccccc2C#N)nc(N(C)C)n1.
What is the InChIKey of 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide?
The InChIKey is RCHWURORKMUHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-20(2)13-17-12(18-14(19-13)23-3)9-16-24(21,22)11-7-5-4-6-10(11)8-15/h4-7,16H,9H2,1-3H3.
What are the key properties of 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide?
2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide has a molecular weight of 348.39 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121137631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).