N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H28N6O2S — CID 122290259

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4c(c3)CCCC4)nc(C)n2)n1
InChIInChI=1S/C22H28N6O2S/c1-15-12-16(2)28(27-15)22-14-21(25-17(3)26-22)23-10-11-24-31(29,30)20-9-8-18-6-4-5-7-19(18)13-20/h8-9,12-14,24H,4-7,10-11H2,1-3H3,(H,23,25,26)
InChIKeyGGFMGLHBCXTHGR-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.86
Rot. Bonds7

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 122290259) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID122290259
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4c(c3)CCCC4)nc(C)n2)n1
InChIInChI=1S/C22H28N6O2S/c1-15-12-16(2)28(27-15)22-14-21(25-17(3)26-22)23-10-11-24-31(29,30)20-9-8-18-6-4-5-7-19(18)13-20/h8-9,12-14,24H,4-7,10-11H2,1-3H3,(H,23,25,26)
InChIKeyGGFMGLHBCXTHGR-UHFFFAOYSA-N
XLogP2.86
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 122290271
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122290294
5-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122290263
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122290270
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122290309
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 121072647
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122289789
3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 122293264
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122293009
3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-fluorobenzenesulfonamide
CID 122293201
4-iodo-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308806

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 122290259) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4c(c3)CCCC4)nc(C)n2)n1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is GGFMGLHBCXTHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-15-12-16(2)28(27-15)22-14-21(25-17(3)26-22)23-10-11-24-31(29,30)20-9-8-18-6-4-5-7-19(18)13-20/h8-9,12-14,24H,4-7,10-11H2,1-3H3,(H,23,25,26).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 440.57 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 122290259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).