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

C22H22N4O2S — CID 90620853

IUPACN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
SMILESCc1cc2ncc(CCCNS(=O)(=O)c3cccc(-c4ccccc4)c3)cn2n1
InChIInChI=1S/C22H22N4O2S/c1-17-13-22-23-15-18(16-26(22)25-17)7-6-12-24-29(27,28)21-11-5-10-20(14-21)19-8-3-2-4-9-19/h2-5,8-11,13-16,24H,6-7,12H2,1H3
InChIKeyJKDUBECBDPGMKB-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.62
Rot. Bonds7

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

N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide (PubChem CID 90620853) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
PubChem CID90620853
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
SMILESCc1cc2ncc(CCCNS(=O)(=O)c3cccc(-c4ccccc4)c3)cn2n1
InChIInChI=1S/C22H22N4O2S/c1-17-13-22-23-15-18(16-26(22)25-17)7-6-12-24-29(27,28)21-11-5-10-20(14-21)19-8-3-2-4-9-19/h2-5,8-11,13-16,24H,6-7,12H2,1H3
InChIKeyJKDUBECBDPGMKB-UHFFFAOYSA-N
XLogP3.62
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620854
3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 73168309
4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 73168315
4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620838
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
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91813926
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide
CID 171909142
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
CID 84802935
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide (CID 90620853) is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide is Cc1cc2ncc(CCCNS(=O)(=O)c3cccc(-c4ccccc4)c3)cn2n1.
What is the InChIKey of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide?
The InChIKey is JKDUBECBDPGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-17-13-22-23-15-18(16-26(22)25-17)7-6-12-24-29(27,28)21-11-5-10-20(14-21)19-8-3-2-4-9-19/h2-5,8-11,13-16,24H,6-7,12H2,1H3.
What are the key properties of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide?
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide is sourced from PubChem (CID 90620853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).