4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide

C15H17N7O3S — CID 46898022

IUPAC4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3nc[nH]c23)cc1
InChIInChI=1S/C15H17N7O3S/c16-26(23,24)11-3-1-10(2-4-11)19-14-12-13(18-9-17-12)20-15(21-14)22-5-7-25-8-6-22/h1-4,9H,5-8H2,(H2,16,23,24)(H2,17,18,19,20,21)
InChIKeyCMWKVPYIDPPPIC-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.58
Rot. Bonds4

About 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide

4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide (PubChem CID 46898022) has the molecular formula C15H17N7O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide
PubChem CID46898022
Molecular FormulaC15H17N7O3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3nc[nH]c23)cc1
InChIInChI=1S/C15H17N7O3S/c16-26(23,24)11-3-1-10(2-4-11)19-14-12-13(18-9-17-12)20-15(21-14)22-5-7-25-8-6-22/h1-4,9H,5-8H2,(H2,16,23,24)(H2,17,18,19,20,21)
InChIKeyCMWKVPYIDPPPIC-UHFFFAOYSA-N
XLogP0.58
TPSA139.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide (CID 46898022) is 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3nc[nH]c23)cc1.
What is the InChIKey of 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide?
The InChIKey is CMWKVPYIDPPPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3S/c16-26(23,24)11-3-1-10(2-4-11)19-14-12-13(18-9-17-12)20-15(21-14)22-5-7-25-8-6-22/h1-4,9H,5-8H2,(H2,16,23,24)(H2,17,18,19,20,21).
What are the key properties of 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide?
4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-yl-7H-purin-6-yl)amino]benzenesulfonamide is sourced from PubChem (CID 46898022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).