4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide

C23H29N7O2S — CID 134108183

IUPAC4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCC(C)Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C23H29N7O2S/c1-15(2)26-22-28-21(25-12-11-16-7-9-20(10-8-16)33(24,31)32)29-23(30-22)27-19-13-17-5-3-4-6-18(17)14-19/h3-10,15,19H,11-14H2,1-2H3,(H2,24,31,32)(H3,25,26,27,28,29,30)
InChIKeyJAMZPCFELJOGOD-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.57
Rot. Bonds9

About 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide

4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 134108183) has the molecular formula C23H29N7O2S and a molecular weight of 467.60 g/mol. Its IUPAC name is 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID134108183
Molecular FormulaC23H29N7O2S
Molecular Weight467.60 g/mol
Exact Mass467.21
IUPAC Name4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCC(C)Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C23H29N7O2S/c1-15(2)26-22-28-21(25-12-11-16-7-9-20(10-8-16)33(24,31)32)29-23(30-22)27-19-13-17-5-3-4-6-18(17)14-19/h3-10,15,19H,11-14H2,1-2H3,(H2,24,31,32)(H3,25,26,27,28,29,30)
InChIKeyJAMZPCFELJOGOD-UHFFFAOYSA-N
XLogP2.57
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide (CID 134108183) is 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide is CC(C)Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is JAMZPCFELJOGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2S/c1-15(2)26-22-28-21(25-12-11-16-7-9-20(10-8-16)33(24,31)32)29-23(30-22)27-19-13-17-5-3-4-6-18(17)14-19/h3-10,15,19H,11-14H2,1-2H3,(H2,24,31,32)(H3,25,26,27,28,29,30).
What are the key properties of 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 467.60 g/mol, XLogP of 2.57, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 134108183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).