N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H25N5O2S2 — CID 46380162

IUPACN-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C24H25N5O2S2/c1-3-22-16(2)27-24-25-15-26-29(24)23(22)32-20-11-9-19(10-12-20)28-33(30,31)21-13-8-17-6-4-5-7-18(17)14-21/h8-15,28H,3-7H2,1-2H3
InChIKeyYGTKGJSRTMJSLI-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.83
Rot. Bonds6

About N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 46380162) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID46380162
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC NameN-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C24H25N5O2S2/c1-3-22-16(2)27-24-25-15-26-29(24)23(22)32-20-11-9-19(10-12-20)28-33(30,31)21-13-8-17-6-4-5-7-18(17)14-21/h8-15,28H,3-7H2,1-2H3
InChIKeyYGTKGJSRTMJSLI-UHFFFAOYSA-N
XLogP4.83
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 46380169
2,3,5-trimethyl-N-[4-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzenesulfonamide
CID 46380199
4-chloro-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzenesulfonamide
CID 50823451
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110734864
N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 71917726
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122356712
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122288193

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 46380162) is N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is YGTKGJSRTMJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c1-3-22-16(2)27-24-25-15-26-29(24)23(22)32-20-11-9-19(10-12-20)28-33(30,31)21-13-8-17-6-4-5-7-18(17)14-21/h8-15,28H,3-7H2,1-2H3.
What are the key properties of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 479.63 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 46380162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).