6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide

C11H11ClN6O2S — CID 86679829

IUPAC6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide
SMILESNS(=O)(=O)N1CCc2ccc(Nc3ncnc(Cl)n3)cc21
InChIInChI=1S/C11H11ClN6O2S/c12-10-14-6-15-11(17-10)16-8-2-1-7-3-4-18(9(7)5-8)21(13,19)20/h1-2,5-6H,3-4H2,(H2,13,19,20)(H,14,15,16,17)
InChIKeyLHEPFSKSZSBAOP-UHFFFAOYSA-N
MW326.77 g/mol
LogP0.83
Rot. Bonds3

About 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide

6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide (PubChem CID 86679829) has the molecular formula C11H11ClN6O2S and a molecular weight of 326.77 g/mol. Its IUPAC name is 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound Name6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide
PubChem CID86679829
Molecular FormulaC11H11ClN6O2S
Molecular Weight326.77 g/mol
Exact Mass326.04
IUPAC Name6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide
SMILESNS(=O)(=O)N1CCc2ccc(Nc3ncnc(Cl)n3)cc21
InChIInChI=1S/C11H11ClN6O2S/c12-10-14-6-15-11(17-10)16-8-2-1-7-3-4-18(9(7)5-8)21(13,19)20/h1-2,5-6H,3-4H2,(H2,13,19,20)(H,14,15,16,17)
InChIKeyLHEPFSKSZSBAOP-UHFFFAOYSA-N
XLogP0.83
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide (CID 86679829) is 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide is NS(=O)(=O)N1CCc2ccc(Nc3ncnc(Cl)n3)cc21.
What is the InChIKey of 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide?
The InChIKey is LHEPFSKSZSBAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O2S/c12-10-14-6-15-11(17-10)16-8-2-1-7-3-4-18(9(7)5-8)21(13,19)20/h1-2,5-6H,3-4H2,(H2,13,19,20)(H,14,15,16,17).
What are the key properties of 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide?
6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide has a molecular weight of 326.77 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 86679829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).