4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide

C13H14N6O2S — CID 519855

IUPAC4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H14N6O2S/c14-22(20,21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12/h1-4,7-8H,5-6H2,(H2,14,20,21)(H2,15,16,17,18,19)
InChIKeyHNTKMTOFOQSLQA-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.65
Rot. Bonds5

About 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide

4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide (PubChem CID 519855) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide
PubChem CID519855
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H14N6O2S/c14-22(20,21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12/h1-4,7-8H,5-6H2,(H2,14,20,21)(H2,15,16,17,18,19)
InChIKeyHNTKMTOFOQSLQA-UHFFFAOYSA-N
XLogP0.65
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide 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

N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
4-[2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethyl]benzenesulfonamide
CID 56909543
4-[2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2960398
4-(bromomethyl)-N-(7H-purin-6-yl)benzenesulfonamide
CID 107858527
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
CID 114184557
(7H-purin-6-ylamino)methanol
CID 86209273
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide (CID 519855) is 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide?
The InChIKey is HNTKMTOFOQSLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c14-22(20,21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12/h1-4,7-8H,5-6H2,(H2,14,20,21)(H2,15,16,17,18,19).
What are the key properties of 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide?
4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 519855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).