4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide

C23H24N4O2S — CID 90620838

IUPAC4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCc3cnc4cc(C)nn4c3)cc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-17-5-7-20(8-6-17)21-9-11-22(12-10-21)30(28,29)25-13-3-4-19-15-24-23-14-18(2)26-27(23)16-19/h5-12,14-16,25H,3-4,13H2,1-2H3
InChIKeyAITDZSITBSZHFL-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.92
Rot. Bonds7

About 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide

4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide (PubChem CID 90620838) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
PubChem CID90620838
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCc3cnc4cc(C)nn4c3)cc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-17-5-7-20(8-6-17)21-9-11-22(12-10-21)30(28,29)25-13-3-4-19-15-24-23-14-18(2)26-27(23)16-19/h5-12,14-16,25H,3-4,13H2,1-2H3
InChIKeyAITDZSITBSZHFL-UHFFFAOYSA-N
XLogP3.92
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 73168315
3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 73168309
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
CID 90620853
3-(4-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620854
4-methoxy-3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620786
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90620708
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4-methylbenzenesulfonamide
CID 11702689
N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide
CID 101038565
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide (CID 90620838) is 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NCCCc3cnc4cc(C)nn4c3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The InChIKey is AITDZSITBSZHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-17-5-7-20(8-6-17)21-9-11-22(12-10-21)30(28,29)25-13-3-4-19-15-24-23-14-18(2)26-27(23)16-19/h5-12,14-16,25H,3-4,13H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 90620838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).