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

C14H21N7O2S — CID 11681852

IUPAC4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
SMILESCN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H21N7O2S/c1-20(2)13-17-12(18-14(19-13)21(3)4)16-9-10-5-7-11(8-6-10)24(15,22)23/h5-8H,9H2,1-4H3,(H2,15,22,23)(H,16,17,18,19)
InChIKeyLBPUEESNXASXDT-UHFFFAOYSA-N
MW351.44 g/mol
LogP0.26
Rot. Bonds6

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

4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide (PubChem CID 11681852) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
PubChem CID11681852
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC Name4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
SMILESCN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H21N7O2S/c1-20(2)13-17-12(18-14(19-13)21(3)4)16-9-10-5-7-11(8-6-10)24(15,22)23/h5-8H,9H2,1-4H3,(H2,15,22,23)(H,16,17,18,19)
InChIKeyLBPUEESNXASXDT-UHFFFAOYSA-N
XLogP0.26
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide (CID 11681852) is 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide is CN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
The InChIKey is LBPUEESNXASXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-20(2)13-17-12(18-14(19-13)21(3)4)16-9-10-5-7-11(8-6-10)24(15,22)23/h5-8H,9H2,1-4H3,(H2,15,22,23)(H,16,17,18,19).
What are the key properties of 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide?
4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide has a molecular weight of 351.44 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 11681852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).