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

C15H17FN4O2S2 — CID 38021657

IUPAC4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCc2cccs2)CN1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2S2/c16-12-3-5-14(6-4-12)24(21,22)19-15-17-10-20(11-18-15)8-7-13-2-1-9-23-13/h1-6,9H,7-8,10-11H2,(H2,17,18,19)
InChIKeyMBQOTIFAOPLKTM-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.58
Rot. Bonds5

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

4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 38021657) has the molecular formula C15H17FN4O2S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID38021657
Molecular FormulaC15H17FN4O2S2
Molecular Weight368.46 g/mol
Exact Mass368.08
IUPAC Name4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCc2cccs2)CN1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2S2/c16-12-3-5-14(6-4-12)24(21,22)19-15-17-10-20(11-18-15)8-7-13-2-1-9-23-13/h1-6,9H,7-8,10-11H2,(H2,17,18,19)
InChIKeyMBQOTIFAOPLKTM-UHFFFAOYSA-N
XLogP1.58
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 38021657) is 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-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)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is MBQOTIFAOPLKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S2/c16-12-3-5-14(6-4-12)24(21,22)19-15-17-10-20(11-18-15)8-7-13-2-1-9-23-13/h1-6,9H,7-8,10-11H2,(H2,17,18,19).
What are the key properties of 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2-thiophen-2-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 38021657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).