CID 134796185

C18H18F3N5O2S — CID 134796185

IUPAC—
SMILESO=[S+]([O-])(NC1CCN(c2ccnc3ccnn23)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)13-2-1-3-15(12-13)29(27,28)24-14-6-10-25(11-7-14)17-5-8-22-16-4-9-23-26(16)17/h1-5,8-9,12,14H,6-7,10-11H2,(H-,24,27,28)
InChIKeyUYZOLTBEVXULBC-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.91
Rot. Bonds4

About CID 134796185

CID 134796185 (PubChem CID 134796185) has the molecular formula C18H18F3N5O2S and a molecular weight of 425.44 g/mol.

Molecular Properties

Compound NameCID 134796185
PubChem CID134796185
Molecular FormulaC18H18F3N5O2S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC Name—
SMILESO=[S+]([O-])(NC1CCN(c2ccnc3ccnn23)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)13-2-1-3-15(12-13)29(27,28)24-14-6-10-25(11-7-14)17-5-8-22-16-4-9-23-26(16)17/h1-5,8-9,12,14H,6-7,10-11H2,(H-,24,27,28)
InChIKeyUYZOLTBEVXULBC-UHFFFAOYSA-N
XLogP2.91
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
CID 42623223
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-benzylpyridine-3-sulfonamide
CID 42623224
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-isopropylpyridine-3-sulfonamide
CID 42623869
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-tert-butylpyridine-3-sulfonamide
CID 44557921
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
CID 44621440
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 44621441
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide
CID 44621442
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylpyridine-3-sulfonamide
CID 44621447
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 44621448
CID 44621449
CID 44621449
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-phenylpyridine-3-sulfonamide
CID 44621451
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide
CID 44621452

Frequently Asked Questions

What is the IUPAC name of CID 134796185?
The IUPAC name of CID 134796185 (CID 134796185) is not available.
What is the SMILES notation for CID 134796185?
The canonical SMILES for CID 134796185 is O=[S+]([O-])(NC1CCN(c2ccnc3ccnn23)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 134796185?
The InChIKey is UYZOLTBEVXULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2S/c19-18(20,21)13-2-1-3-15(12-13)29(27,28)24-14-6-10-25(11-7-14)17-5-8-22-16-4-9-23-26(16)17/h1-5,8-9,12,14H,6-7,10-11H2,(H-,24,27,28).
What are the key properties of CID 134796185?
CID 134796185 has a molecular weight of 425.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134796185 is sourced from PubChem (CID 134796185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).