4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide

C14H16N6O2S — CID 157016797

IUPAC4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCn1cnc2nc(NCCc3ccc(S(N)(=O)=O)cc3)ncc21
InChIInChI=1S/C14H16N6O2S/c1-20-9-18-13-12(20)8-17-14(19-13)16-7-6-10-2-4-11(5-3-10)23(15,21)22/h2-5,8-9H,6-7H2,1H3,(H2,15,21,22)(H,16,17,19)
InChIKeyWBBPMZBWXDDGQH-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.67
Rot. Bonds5

About 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 157016797) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID157016797
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCn1cnc2nc(NCCc3ccc(S(N)(=O)=O)cc3)ncc21
InChIInChI=1S/C14H16N6O2S/c1-20-9-18-13-12(20)8-17-14(19-13)16-7-6-10-2-4-11(5-3-10)23(15,21)22/h2-5,8-9H,6-7H2,1H3,(H2,15,21,22)(H,16,17,19)
InChIKeyWBBPMZBWXDDGQH-UHFFFAOYSA-N
XLogP0.67
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
CID 162630034
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine
CID 157016578
4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
CID 58285847
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701
4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 142898984
4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969031
4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 79834241
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 113028955

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide (CID 157016797) is 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide is Cn1cnc2nc(NCCc3ccc(S(N)(=O)=O)cc3)ncc21.
What is the InChIKey of 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is WBBPMZBWXDDGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-20-9-18-13-12(20)8-17-14(19-13)16-7-6-10-2-4-11(5-3-10)23(15,21)22/h2-5,8-9H,6-7H2,1H3,(H2,15,21,22)(H,16,17,19).
What are the key properties of 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 157016797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).