4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide

C19H21N7O3S — CID 35871284

IUPAC4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H21N7O3S/c20-30(27,28)16-8-6-15(7-9-16)22-18-23-17(21-14-4-2-1-3-5-14)24-19(25-18)26-10-12-29-13-11-26/h1-9H,10-13H2,(H2,20,27,28)(H2,21,22,23,24,25)
InChIKeyHZLORASHKAHONJ-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.84
Rot. Bonds6

About 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide

4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide (PubChem CID 35871284) has the molecular formula C19H21N7O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide
PubChem CID35871284
Molecular FormulaC19H21N7O3S
Molecular Weight427.49 g/mol
Exact Mass427.14
IUPAC Name4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H21N7O3S/c20-30(27,28)16-8-6-15(7-9-16)22-18-23-17(21-14-4-2-1-3-5-14)24-19(25-18)26-10-12-29-13-11-26/h1-9H,10-13H2,(H2,20,27,28)(H2,21,22,23,24,25)
InChIKeyHZLORASHKAHONJ-UHFFFAOYSA-N
XLogP1.84
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide (CID 35871284) is 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The InChIKey is HZLORASHKAHONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3S/c20-30(27,28)16-8-6-15(7-9-16)22-18-23-17(21-14-4-2-1-3-5-14)24-19(25-18)26-10-12-29-13-11-26/h1-9H,10-13H2,(H2,20,27,28)(H2,21,22,23,24,25).
What are the key properties of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide has a molecular weight of 427.49 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 35871284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).