N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide

C14H18F2N6O2S — CID 121137926

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)c2ccc(F)c(F)c2)nc(N(C)C)n1
InChIInChI=1S/C14H18F2N6O2S/c1-21(2)13-18-12(19-14(20-13)22(3)4)8-17-25(23,24)9-5-6-10(15)11(16)7-9/h5-7,17H,8H2,1-4H3
InChIKeyGEVMMSRQKGROTL-UHFFFAOYSA-N
MW372.40 g/mol
LogP0.76
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide (PubChem CID 121137926) has the molecular formula C14H18F2N6O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
PubChem CID121137926
Molecular FormulaC14H18F2N6O2S
Molecular Weight372.40 g/mol
Exact Mass372.12
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)c2ccc(F)c(F)c2)nc(N(C)C)n1
InChIInChI=1S/C14H18F2N6O2S/c1-21(2)13-18-12(19-14(20-13)22(3)4)8-17-25(23,24)9-5-6-10(15)11(16)7-9/h5-7,17H,8H2,1-4H3
InChIKeyGEVMMSRQKGROTL-UHFFFAOYSA-N
XLogP0.76
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
3-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122253095
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122322382
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 122254104
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122254225
3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 3829331
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 91967734
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122253077
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122253070
3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121985

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide (CID 121137926) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide is CN(C)c1nc(CNS(=O)(=O)c2ccc(F)c(F)c2)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is GEVMMSRQKGROTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6O2S/c1-21(2)13-18-12(19-14(20-13)22(3)4)8-17-25(23,24)9-5-6-10(15)11(16)7-9/h5-7,17H,8H2,1-4H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 121137926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).