CID 134795018

C19H20F3N3O3S — CID 134795018

IUPAC—
SMILESO=[S+]1([O-])NC2(CCN(Cc3ccc(OC(F)(F)F)cc3)C2)CNc2ccccc21
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)28-15-7-5-14(6-8-15)11-25-10-9-18(13-25)12-23-16-3-1-2-4-17(16)29(26,27)24-18/h1-8,23H,9-13H2,(H-,24,26,27)
InChIKeyAJKMQDYCMYQPNV-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.15
Rot. Bonds3

About CID 134795018

CID 134795018 (PubChem CID 134795018) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol.

Molecular Properties

Compound NameCID 134795018
PubChem CID134795018
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC Name—
SMILESO=[S+]1([O-])NC2(CCN(Cc3ccc(OC(F)(F)F)cc3)C2)CNc2ccccc21
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)28-15-7-5-14(6-8-15)11-25-10-9-18(13-25)12-23-16-3-1-2-4-17(16)29(26,27)24-18/h1-8,23H,9-13H2,(H-,24,26,27)
InChIKeyAJKMQDYCMYQPNV-UHFFFAOYSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-Tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 127047878
N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3238534
CID 134794626
CID 134794626
CID 134794389
CID 134794389
CID 134794919
CID 134794919
N-[3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122188524
CID 134792696
CID 134792696
CID 134793413
CID 134793413
CID 134792196
CID 134792196
CID 134792197
CID 134792197
CID 134793200
CID 134793200
CID 134793222
CID 134793222

Frequently Asked Questions

What is the IUPAC name of CID 134795018?
The IUPAC name of CID 134795018 (CID 134795018) is not available.
What is the SMILES notation for CID 134795018?
The canonical SMILES for CID 134795018 is O=[S+]1([O-])NC2(CCN(Cc3ccc(OC(F)(F)F)cc3)C2)CNc2ccccc21.
What is the InChIKey of CID 134795018?
The InChIKey is AJKMQDYCMYQPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c20-19(21,22)28-15-7-5-14(6-8-15)11-25-10-9-18(13-25)12-23-16-3-1-2-4-17(16)29(26,27)24-18/h1-8,23H,9-13H2,(H-,24,26,27).
What are the key properties of CID 134795018?
CID 134795018 has a molecular weight of 427.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134795018 is sourced from PubChem (CID 134795018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).