CID 134788241

C19H20FN3O4S — CID 134788241

IUPAC—
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)CN[S+](=O)([O-])c1cccnc1O2
InChIInChI=1S/C19H20FN3O4S/c20-15-5-3-14(4-6-15)12-17(24)23-10-7-19(8-11-23)13-22-28(25,26)16-2-1-9-21-18(16)27-19/h1-6,9H,7-8,10-13H2,(H-,22,25,26)
InChIKeySNVZRCBJFTYIHH-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.71
Rot. Bonds2

About CID 134788241

CID 134788241 (PubChem CID 134788241) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol.

Molecular Properties

Compound NameCID 134788241
PubChem CID134788241
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC Name—
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)CN[S+](=O)([O-])c1cccnc1O2
InChIInChI=1S/C19H20FN3O4S/c20-15-5-3-14(4-6-15)12-17(24)23-10-7-19(8-11-23)13-22-28(25,26)16-2-1-9-21-18(16)27-19/h1-6,9H,7-8,10-13H2,(H-,22,25,26)
InChIKeySNVZRCBJFTYIHH-UHFFFAOYSA-N
XLogP1.71
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134788241?
The IUPAC name of CID 134788241 (CID 134788241) is not available.
What is the SMILES notation for CID 134788241?
The canonical SMILES for CID 134788241 is O=C(Cc1ccc(F)cc1)N1CCC2(CC1)CN[S+](=O)([O-])c1cccnc1O2.
What is the InChIKey of CID 134788241?
The InChIKey is SNVZRCBJFTYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c20-15-5-3-14(4-6-15)12-17(24)23-10-7-19(8-11-23)13-22-28(25,26)16-2-1-9-21-18(16)27-19/h1-6,9H,7-8,10-13H2,(H-,22,25,26).
What are the key properties of CID 134788241?
CID 134788241 has a molecular weight of 405.45 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134788241 is sourced from PubChem (CID 134788241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).