CID 175724131

C20H24F3KN3O4S — CID 175724131

IUPAC—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1.[K]
InChIInChI=1S/C20H24F3N3O4S.K/c21-20(22,23)18(27)26-9-7-14(8-10-26)31(29,30)25-19(28)24-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17;/h11,14H,1-10H2,(H2,24,25,28);
InChIKeyHXPZDGLGRFBPCA-UHFFFAOYSA-N
MW498.59 g/mol
LogP2.29
Rot. Bonds3

About CID 175724131

CID 175724131 (PubChem CID 175724131) has the molecular formula C20H24F3KN3O4S and a molecular weight of 498.59 g/mol.

Molecular Properties

Compound NameCID 175724131
PubChem CID175724131
Molecular FormulaC20H24F3KN3O4S
Molecular Weight498.59 g/mol
Exact Mass498.11
IUPAC Name—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1.[K]
InChIInChI=1S/C20H24F3N3O4S.K/c21-20(22,23)18(27)26-9-7-14(8-10-26)31(29,30)25-19(28)24-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17;/h11,14H,1-10H2,(H2,24,25,28);
InChIKeyHXPZDGLGRFBPCA-UHFFFAOYSA-N
XLogP2.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 175724131?
The IUPAC name of CID 175724131 (CID 175724131) is not available.
What is the SMILES notation for CID 175724131?
The canonical SMILES for CID 175724131 is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1.[K].
What is the InChIKey of CID 175724131?
The InChIKey is HXPZDGLGRFBPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O4S.K/c21-20(22,23)18(27)26-9-7-14(8-10-26)31(29,30)25-19(28)24-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17;/h11,14H,1-10H2,(H2,24,25,28);.
What are the key properties of CID 175724131?
CID 175724131 has a molecular weight of 498.59 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175724131 is sourced from PubChem (CID 175724131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).