4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

C17H15N7O3S — CID 155289126

IUPAC4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(Oc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C17H15N7O3S/c18-15-22-16(21-11-1-4-13(5-2-11)28(19,25)26)24-17(23-15)27-12-3-6-14-10(9-12)7-8-20-14/h1-9,20H,(H2,19,25,26)(H3,18,21,22,23,24)
InChIKeyNLUNRZKTOSCDJH-UHFFFAOYSA-N
MW397.42 g/mol
LogP2.12
Rot. Bonds5

About 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 155289126) has the molecular formula C17H15N7O3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID155289126
Molecular FormulaC17H15N7O3S
Molecular Weight397.42 g/mol
Exact Mass397.10
IUPAC Name4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(Oc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C17H15N7O3S/c18-15-22-16(21-11-1-4-13(5-2-11)28(19,25)26)24-17(23-15)27-12-3-6-14-10(9-12)7-8-20-14/h1-9,20H,(H2,19,25,26)(H3,18,21,22,23,24)
InChIKeyNLUNRZKTOSCDJH-UHFFFAOYSA-N
XLogP2.12
TPSA161.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 155289126) is 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(Oc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is NLUNRZKTOSCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3S/c18-15-22-16(21-11-1-4-13(5-2-11)28(19,25)26)24-17(23-15)27-12-3-6-14-10(9-12)7-8-20-14/h1-9,20H,(H2,19,25,26)(H3,18,21,22,23,24).
What are the key properties of 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 397.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(1H-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 155289126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).