CID 10531066

C30H24N4O4S2 — CID 10531066

IUPAC—
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)=NC1(CCC3(CC1)N=c1ccc(S(=O)(=O)c4ccccc4)cc1=N3)N=2
InChIInChI=1S/C30H24N4O4S2/c35-39(36,21-7-3-1-4-8-21)23-11-13-25-27(19-23)33-29(31-25)15-17-30(18-16-29)32-26-14-12-24(20-28(26)34-30)40(37,38)22-9-5-2-6-10-22/h1-14,19-20H,15-18H2
InChIKeyJRSREDQHDAPHKR-UHFFFAOYSA-N
MW568.68 g/mol
LogP2.52
Rot. Bonds4

About CID 10531066

CID 10531066 (PubChem CID 10531066) has the molecular formula C30H24N4O4S2 and a molecular weight of 568.68 g/mol.

Molecular Properties

Compound NameCID 10531066
PubChem CID10531066
Molecular FormulaC30H24N4O4S2
Molecular Weight568.68 g/mol
Exact Mass568.12
IUPAC Name—
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)=NC1(CCC3(CC1)N=c1ccc(S(=O)(=O)c4ccccc4)cc1=N3)N=2
InChIInChI=1S/C30H24N4O4S2/c35-39(36,21-7-3-1-4-8-21)23-11-13-25-27(19-23)33-29(31-25)15-17-30(18-16-29)32-26-14-12-24(20-28(26)34-30)40(37,38)22-9-5-2-6-10-22/h1-14,19-20H,15-18H2
InChIKeyJRSREDQHDAPHKR-UHFFFAOYSA-N
XLogP2.52
TPSA117.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.68
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 10531066?
The IUPAC name of CID 10531066 (CID 10531066) is not available.
What is the SMILES notation for CID 10531066?
The canonical SMILES for CID 10531066 is O=S(=O)(c1ccccc1)c1ccc2c(c1)=NC1(CCC3(CC1)N=c1ccc(S(=O)(=O)c4ccccc4)cc1=N3)N=2.
What is the InChIKey of CID 10531066?
The InChIKey is JRSREDQHDAPHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4S2/c35-39(36,21-7-3-1-4-8-21)23-11-13-25-27(19-23)33-29(31-25)15-17-30(18-16-29)32-26-14-12-24(20-28(26)34-30)40(37,38)22-9-5-2-6-10-22/h1-14,19-20H,15-18H2.
What are the key properties of CID 10531066?
CID 10531066 has a molecular weight of 568.68 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10531066 is sourced from PubChem (CID 10531066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).