4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride

C23H21ClN6O2S — CID 162651563

IUPAC4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Nc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)n2nc(C)nc2n1.Cl
InChIInChI=1S/C23H20N6O2S.ClH/c1-15-13-22(29-23(24-15)25-16(2)27-29)26-19-9-11-21(12-10-19)32(30,31)28-20-8-7-17-5-3-4-6-18(17)14-20;/h3-14,26,28H,1-2H3;1H
InChIKeyOHZVOEUUIVGEEJ-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.86
Rot. Bonds5

About 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride

4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 162651563) has the molecular formula C23H21ClN6O2S and a molecular weight of 480.98 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride
PubChem CID162651563
Molecular FormulaC23H21ClN6O2S
Molecular Weight480.98 g/mol
Exact Mass480.11
IUPAC Name4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Nc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)n2nc(C)nc2n1.Cl
InChIInChI=1S/C23H20N6O2S.ClH/c1-15-13-22(29-23(24-15)25-16(2)27-29)26-19-9-11-21(12-10-19)32(30,31)28-20-8-7-17-5-3-4-6-18(17)14-20;/h3-14,26,28H,1-2H3;1H
InChIKeyOHZVOEUUIVGEEJ-UHFFFAOYSA-N
XLogP4.86
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;hydrochloride
CID 162665410
N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71079204
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 10041521
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37357505
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308141
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride (CID 162651563) is 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride is Cc1cc(Nc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2)n2nc(C)nc2n1.Cl.
What is the InChIKey of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is OHZVOEUUIVGEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S.ClH/c1-15-13-22(29-23(24-15)25-16(2)27-29)26-19-9-11-21(12-10-19)32(30,31)28-20-8-7-17-5-3-4-6-18(17)14-20;/h3-14,26,28H,1-2H3;1H.
What are the key properties of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride?
4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 480.98 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-naphthalen-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 162651563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).