N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

C24H21N5O2S — CID 75636217

IUPACN-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccc(C2CC(c3ccccc3)=Nc3nc(NS(=O)(=O)c4ccccc4)nn32)cc1
InChIInChI=1S/C24H21N5O2S/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)25-24-26-23(27-29(22)24)28-32(30,31)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3,(H,27,28)
InChIKeyHLOHLNMVVQEOFD-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.50
Rot. Bonds5

About N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide (PubChem CID 75636217) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
PubChem CID75636217
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccc(C2CC(c3ccccc3)=Nc3nc(NS(=O)(=O)c4ccccc4)nn32)cc1
InChIInChI=1S/C24H21N5O2S/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)25-24-26-23(27-29(22)24)28-32(30,31)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3,(H,27,28)
InChIKeyHLOHLNMVVQEOFD-UHFFFAOYSA-N
XLogP4.50
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 75650381
N-[(5R,7S)-7-(4-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
CID 136920080
N-[(5S,7S)-7-(4-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
CID 136920082
N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
CID 1307286
3-[5-(4-fluorophenyl)-7-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
CID 75638987
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
CID 135970556
4-methyl-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 2921310
2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222324
4-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 4921681
(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine
CID 7392449
7-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222328

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide (CID 75636217) is N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide is Cc1ccc(C2CC(c3ccccc3)=Nc3nc(NS(=O)(=O)c4ccccc4)nn32)cc1.
What is the InChIKey of N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
The InChIKey is HLOHLNMVVQEOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)25-24-26-23(27-29(22)24)28-32(30,31)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3,(H,27,28).
What are the key properties of N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 75636217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).