CID 22974341

C24H22AlN2O3S — CID 22974341

IUPAC—
SMILESCc1ccc2cccc(N([Al]Oc3c(C)cccc3C)S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C16H13N2O2S.C8H10O.Al/c1-12-10-11-13-6-5-9-15(16(13)17-12)18-21(19,20)14-7-3-2-4-8-14;1-6-4-3-5-7(2)8(6)9;/h2-11H,1H3;3-5,9H,1-2H3;/q-1;;+2/p-1
InChIKeyGRDYFIXVXPXVAE-UHFFFAOYSA-M
MW445.50 g/mol
LogP4.97
Rot. Bonds6

About CID 22974341

CID 22974341 (PubChem CID 22974341) has the molecular formula C24H22AlN2O3S and a molecular weight of 445.50 g/mol.

Molecular Properties

Compound NameCID 22974341
PubChem CID22974341
Molecular FormulaC24H22AlN2O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name—
SMILESCc1ccc2cccc(N([Al]Oc3c(C)cccc3C)S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C16H13N2O2S.C8H10O.Al/c1-12-10-11-13-6-5-9-15(16(13)17-12)18-21(19,20)14-7-3-2-4-8-14;1-6-4-3-5-7(2)8(6)9;/h2-11H,1H3;3-5,9H,1-2H3;/q-1;;+2/p-1
InChIKeyGRDYFIXVXPXVAE-UHFFFAOYSA-M
XLogP4.97
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 22974341?
The IUPAC name of CID 22974341 (CID 22974341) is not available.
What is the SMILES notation for CID 22974341?
The canonical SMILES for CID 22974341 is Cc1ccc2cccc(N([Al]Oc3c(C)cccc3C)S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of CID 22974341?
The InChIKey is GRDYFIXVXPXVAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N2O2S.C8H10O.Al/c1-12-10-11-13-6-5-9-15(16(13)17-12)18-21(19,20)14-7-3-2-4-8-14;1-6-4-3-5-7(2)8(6)9;/h2-11H,1H3;3-5,9H,1-2H3;/q-1;;+2/p-1.
What are the key properties of CID 22974341?
CID 22974341 has a molecular weight of 445.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22974341 is sourced from PubChem (CID 22974341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).