N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide

C15H22N6O2S — CID 1118025

IUPACN-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide
SMILESCCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H22N6O2S/c1-5-16-13-18-14(17-10(2)3)20-15(19-13)21-24(22,23)12-8-6-11(4)7-9-12/h6-10H,5H2,1-4H3,(H3,16,17,18,19,20,21)
InChIKeyHRCVQBCIZRAPLS-UHFFFAOYSA-N
MW350.45 g/mol
LogP2.23
Rot. Bonds7

About N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide

N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 1118025) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID1118025
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameN-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide
SMILESCCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H22N6O2S/c1-5-16-13-18-14(17-10(2)3)20-15(19-13)21-24(22,23)12-8-6-11(4)7-9-12/h6-10H,5H2,1-4H3,(H3,16,17,18,19,20,21)
InChIKeyHRCVQBCIZRAPLS-UHFFFAOYSA-N
XLogP2.23
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide (CID 1118025) is N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide is CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is HRCVQBCIZRAPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-5-16-13-18-14(17-10(2)3)20-15(19-13)21-24(22,23)12-8-6-11(4)7-9-12/h6-10H,5H2,1-4H3,(H3,16,17,18,19,20,21).
What are the key properties of N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide?
N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 350.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1118025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).