4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

C16H16Cl2N4O2S — CID 38021628

IUPAC4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(Cc2ccccc2Cl)CN1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N4O2S/c17-13-5-7-14(8-6-13)25(23,24)21-16-19-10-22(11-20-16)9-12-3-1-2-4-15(12)18/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyWVMPXSKHCVQPIA-UHFFFAOYSA-N
MW399.30 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 38021628) has the molecular formula C16H16Cl2N4O2S and a molecular weight of 399.30 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID38021628
Molecular FormulaC16H16Cl2N4O2S
Molecular Weight399.30 g/mol
Exact Mass398.04
IUPAC Name4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(Cc2ccccc2Cl)CN1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N4O2S/c17-13-5-7-14(8-6-13)25(23,24)21-16-19-10-22(11-20-16)9-12-3-1-2-4-15(12)18/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyWVMPXSKHCVQPIA-UHFFFAOYSA-N
XLogP2.65
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 38021628) is 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is O=S(=O)(NC1=NCN(Cc2ccccc2Cl)CN1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is WVMPXSKHCVQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2S/c17-13-5-7-14(8-6-13)25(23,24)21-16-19-10-22(11-20-16)9-12-3-1-2-4-15(12)18/h1-8H,9-11H2,(H2,19,20,21).
What are the key properties of 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 399.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 38021628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).