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

C17H20N4O2S — CID 73168309

IUPAC3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
InChIInChI=1S/C17H20N4O2S/c1-13-5-3-7-16(9-13)24(22,23)19-8-4-6-15-11-18-17-10-14(2)20-21(17)12-15/h3,5,7,9-12,19H,4,6,8H2,1-2H3
InChIKeyYUTWAQCMIAOWTB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.26
Rot. Bonds6

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

3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide (PubChem CID 73168309) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
PubChem CID73168309
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1
InChIInChI=1S/C17H20N4O2S/c1-13-5-3-7-16(9-13)24(22,23)19-8-4-6-15-11-18-17-10-14(2)20-21(17)12-15/h3,5,7,9-12,19H,4,6,8H2,1-2H3
InChIKeyYUTWAQCMIAOWTB-UHFFFAOYSA-N
XLogP2.26
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide (CID 73168309) is 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCCc2cnc3cc(C)nn3c2)c1.
What is the InChIKey of 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The InChIKey is YUTWAQCMIAOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-5-3-7-16(9-13)24(22,23)19-8-4-6-15-11-18-17-10-14(2)20-21(17)12-15/h3,5,7,9-12,19H,4,6,8H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 73168309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).