N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

C15H18N4O2S2 — CID 30466349

IUPACN-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCc2cccs2)CN1)c1ccccc1
InChIInChI=1S/C15H18N4O2S2/c20-23(21,14-6-2-1-3-7-14)18-15-16-11-19(12-17-15)9-8-13-5-4-10-22-13/h1-7,10H,8-9,11-12H2,(H2,16,17,18)
InChIKeyAAUDAAZHUUUVRZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.45
Rot. Bonds5

About N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 30466349) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID30466349
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC NameN-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCc2cccs2)CN1)c1ccccc1
InChIInChI=1S/C15H18N4O2S2/c20-23(21,14-6-2-1-3-7-14)18-15-16-11-19(12-17-15)9-8-13-5-4-10-22-13/h1-7,10H,8-9,11-12H2,(H2,16,17,18)
InChIKeyAAUDAAZHUUUVRZ-UHFFFAOYSA-N
XLogP1.45
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 30466349) is N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is O=S(=O)(NC1=NCN(CCc2cccs2)CN1)c1ccccc1.
What is the InChIKey of N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is AAUDAAZHUUUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c20-23(21,14-6-2-1-3-7-14)18-15-16-11-19(12-17-15)9-8-13-5-4-10-22-13/h1-7,10H,8-9,11-12H2,(H2,16,17,18).
What are the key properties of N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 350.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 30466349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).