CID 58084383

C20H18N3O3S — CID 58084383

IUPAC—
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc([NH])c(C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N3O3S/c1-13(2)27(25,26)16-10-8-14(9-11-16)17-12-22-20(21)18(23-17)19(24)15-6-4-3-5-7-15/h3-13,21H,1-2H3
InChIKeyGWTFCEBHDUTQJI-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.47
Rot. Bonds5

About CID 58084383

CID 58084383 (PubChem CID 58084383) has the molecular formula C20H18N3O3S and a molecular weight of 380.45 g/mol.

Molecular Properties

Compound NameCID 58084383
PubChem CID58084383
Molecular FormulaC20H18N3O3S
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name—
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc([NH])c(C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N3O3S/c1-13(2)27(25,26)16-10-8-14(9-11-16)17-12-22-20(21)18(23-17)19(24)15-6-4-3-5-7-15/h3-13,21H,1-2H3
InChIKeyGWTFCEBHDUTQJI-UHFFFAOYSA-N
XLogP3.47
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58084383?
The IUPAC name of CID 58084383 (CID 58084383) is not available.
What is the SMILES notation for CID 58084383?
The canonical SMILES for CID 58084383 is CC(C)S(=O)(=O)c1ccc(-c2cnc([NH])c(C(=O)c3ccccc3)n2)cc1.
What is the InChIKey of CID 58084383?
The InChIKey is GWTFCEBHDUTQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N3O3S/c1-13(2)27(25,26)16-10-8-14(9-11-16)17-12-22-20(21)18(23-17)19(24)15-6-4-3-5-7-15/h3-13,21H,1-2H3.
What are the key properties of CID 58084383?
CID 58084383 has a molecular weight of 380.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58084383 is sourced from PubChem (CID 58084383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).