CID 175710604

C21H28FKN3O3S — CID 175710604

IUPAC—
SMILESCC(C)c1cc(F)cc2c1C(C(=O)NS(=O)(=O)c1ccn(C(C)C)n1)CC2(C)C.[K]
InChIInChI=1S/C21H28FN3O3S.K/c1-12(2)15-9-14(22)10-17-19(15)16(11-21(17,5)6)20(26)24-29(27,28)18-7-8-25(23-18)13(3)4;/h7-10,12-13,16H,11H2,1-6H3,(H,24,26);
InChIKeyYZUQGAIQLDGFEO-UHFFFAOYSA-N
MW460.64 g/mol
LogP3.62
Rot. Bonds5

About CID 175710604

CID 175710604 (PubChem CID 175710604) has the molecular formula C21H28FKN3O3S and a molecular weight of 460.64 g/mol.

Molecular Properties

Compound NameCID 175710604
PubChem CID175710604
Molecular FormulaC21H28FKN3O3S
Molecular Weight460.64 g/mol
Exact Mass460.15
IUPAC Name—
SMILESCC(C)c1cc(F)cc2c1C(C(=O)NS(=O)(=O)c1ccn(C(C)C)n1)CC2(C)C.[K]
InChIInChI=1S/C21H28FN3O3S.K/c1-12(2)15-9-14(22)10-17-19(15)16(11-21(17,5)6)20(26)24-29(27,28)18-7-8-25(23-18)13(3)4;/h7-10,12-13,16H,11H2,1-6H3,(H,24,26);
InChIKeyYZUQGAIQLDGFEO-UHFFFAOYSA-N
XLogP3.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 175710604?
The IUPAC name of CID 175710604 (CID 175710604) is not available.
What is the SMILES notation for CID 175710604?
The canonical SMILES for CID 175710604 is CC(C)c1cc(F)cc2c1C(C(=O)NS(=O)(=O)c1ccn(C(C)C)n1)CC2(C)C.[K].
What is the InChIKey of CID 175710604?
The InChIKey is YZUQGAIQLDGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3S.K/c1-12(2)15-9-14(22)10-17-19(15)16(11-21(17,5)6)20(26)24-29(27,28)18-7-8-25(23-18)13(3)4;/h7-10,12-13,16H,11H2,1-6H3,(H,24,26);.
What are the key properties of CID 175710604?
CID 175710604 has a molecular weight of 460.64 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175710604 is sourced from PubChem (CID 175710604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).