N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

C18H23N5O2S — CID 23602115

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(C)n2nc(CNS(=O)(=O)c3ccc(CC(C)C)cc3)nc2n1
InChIInChI=1S/C18H23N5O2S/c1-12(2)9-15-5-7-16(8-6-15)26(24,25)19-11-17-21-18-20-13(3)10-14(4)23(18)22-17/h5-8,10,12,19H,9,11H2,1-4H3
InChIKeyRFCJYEVQNNZXLY-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.42
Rot. Bonds6

About N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 23602115) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID23602115
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(C)n2nc(CNS(=O)(=O)c3ccc(CC(C)C)cc3)nc2n1
InChIInChI=1S/C18H23N5O2S/c1-12(2)9-15-5-7-16(8-6-15)26(24,25)19-11-17-21-18-20-13(3)10-14(4)23(18)22-17/h5-8,10,12,19H,9,11H2,1-4H3
InChIKeyRFCJYEVQNNZXLY-UHFFFAOYSA-N
XLogP2.42
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 10041521
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22771286
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683354
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207651
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 66490765
4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050741
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 23602115) is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is Cc1cc(C)n2nc(CNS(=O)(=O)c3ccc(CC(C)C)cc3)nc2n1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is RFCJYEVQNNZXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12(2)9-15-5-7-16(8-6-15)26(24,25)19-11-17-21-18-20-13(3)10-14(4)23(18)22-17/h5-8,10,12,19H,9,11H2,1-4H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 23602115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).