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

C16H17ClN4O2S — CID 38021271

IUPACN-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(Cc2ccc(Cl)cc2)CN1)c1ccccc1
InChIInChI=1S/C16H17ClN4O2S/c17-14-8-6-13(7-9-14)10-21-11-18-16(19-12-21)20-24(22,23)15-4-2-1-3-5-15/h1-9H,10-12H2,(H2,18,19,20)
InChIKeyUROJKNWLNHIGLN-UHFFFAOYSA-N
MW364.86 g/mol
LogP1.99
Rot. Bonds4

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

N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 38021271) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID38021271
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(Cc2ccc(Cl)cc2)CN1)c1ccccc1
InChIInChI=1S/C16H17ClN4O2S/c17-14-8-6-13(7-9-14)10-21-11-18-16(19-12-21)20-24(22,23)15-4-2-1-3-5-15/h1-9H,10-12H2,(H2,18,19,20)
InChIKeyUROJKNWLNHIGLN-UHFFFAOYSA-N
XLogP1.99
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-[(2-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 38021628
4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 25252188
4-chloro-N-[3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124797704
N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 3450959
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 38021503
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811
N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide
CID 102506802
N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124907507
sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetate
CID 23673980
4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 7339712
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 38021271) is N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is O=S(=O)(NC1=NCN(Cc2ccc(Cl)cc2)CN1)c1ccccc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is UROJKNWLNHIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c17-14-8-6-13(7-9-14)10-21-11-18-16(19-12-21)20-24(22,23)15-4-2-1-3-5-15/h1-9H,10-12H2,(H2,18,19,20).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 364.86 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 38021271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).