RNDDLALJHLTIAQ-UHFFFAOYSA-N

C15H17N5O4S — CID 15587309

IUPAC4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide
SMILESCCn1c(=O)c2[nH]c(-c3ccc(S(N)(=O)=O)cc3)nc2n(CC)c1=O
InChIInChI=1S/C15H17N5O4S/c1-3-19-13-11(14(21)20(4-2)15(19)22)17-12(18-13)9-5-7-10(8-6-9)25(16,23)24/h5-8H,3-4H2,1-2H3,(H,17,18)(H2,16,23,24)
InChIKeyRNDDLALJHLTIAQ-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.24
Rot. Bonds4

About RNDDLALJHLTIAQ-UHFFFAOYSA-N

RNDDLALJHLTIAQ-UHFFFAOYSA-N (PubChem CID 15587309) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameRNDDLALJHLTIAQ-UHFFFAOYSA-N
PubChem CID15587309
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide
SMILESCCn1c(=O)c2[nH]c(-c3ccc(S(N)(=O)=O)cc3)nc2n(CC)c1=O
InChIInChI=1S/C15H17N5O4S/c1-3-19-13-11(14(21)20(4-2)15(19)22)17-12(18-13)9-5-7-10(8-6-9)25(16,23)24/h5-8H,3-4H2,1-2H3,(H,17,18)(H2,16,23,24)
InChIKeyRNDDLALJHLTIAQ-UHFFFAOYSA-N
XLogP0.24
TPSA132.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of RNDDLALJHLTIAQ-UHFFFAOYSA-N?
The IUPAC name of RNDDLALJHLTIAQ-UHFFFAOYSA-N (CID 15587309) is 4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide.
What is the SMILES notation for RNDDLALJHLTIAQ-UHFFFAOYSA-N?
The canonical SMILES for RNDDLALJHLTIAQ-UHFFFAOYSA-N is CCn1c(=O)c2[nH]c(-c3ccc(S(N)(=O)=O)cc3)nc2n(CC)c1=O.
What is the InChIKey of RNDDLALJHLTIAQ-UHFFFAOYSA-N?
The InChIKey is RNDDLALJHLTIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-3-19-13-11(14(21)20(4-2)15(19)22)17-12(18-13)9-5-7-10(8-6-9)25(16,23)24/h5-8H,3-4H2,1-2H3,(H,17,18)(H2,16,23,24).
What are the key properties of RNDDLALJHLTIAQ-UHFFFAOYSA-N?
RNDDLALJHLTIAQ-UHFFFAOYSA-N has a molecular weight of 363.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for RNDDLALJHLTIAQ-UHFFFAOYSA-N is sourced from PubChem (CID 15587309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).