CID 134798555

C18H18F3N5O2S — CID 134798555

IUPAC—
SMILESO=[S+]([O-])(NC1CCCN(c2ccnc3ccnn23)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)13-3-1-5-15(11-13)29(27,28)24-14-4-2-10-25(12-14)17-7-8-22-16-6-9-23-26(16)17/h1,3,5-9,11,14H,2,4,10,12H2,(H-,24,27,28)
InChIKeyHQIYUXNRYVVWBO-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.91
Rot. Bonds4

About CID 134798555

CID 134798555 (PubChem CID 134798555) has the molecular formula C18H18F3N5O2S and a molecular weight of 425.44 g/mol.

Molecular Properties

Compound NameCID 134798555
PubChem CID134798555
Molecular FormulaC18H18F3N5O2S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC Name—
SMILESO=[S+]([O-])(NC1CCCN(c2ccnc3ccnn23)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)13-3-1-5-15(11-13)29(27,28)24-14-4-2-10-25(12-14)17-7-8-22-16-6-9-23-26(16)17/h1,3,5-9,11,14H,2,4,10,12H2,(H-,24,27,28)
InChIKeyHQIYUXNRYVVWBO-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-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-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-(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
3-[6-[4-[(2R,6S)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide
CID 118664452
4-[6-[4-[(2R,6S)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide
CID 118665005
N-[2,4-difluoro-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)phenyl]pyridine-3-sulfonamide
CID 122179525
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 145974778

Frequently Asked Questions

What is the IUPAC name of CID 134798555?
The IUPAC name of CID 134798555 (CID 134798555) is not available.
What is the SMILES notation for CID 134798555?
The canonical SMILES for CID 134798555 is O=[S+]([O-])(NC1CCCN(c2ccnc3ccnn23)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 134798555?
The InChIKey is HQIYUXNRYVVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2S/c19-18(20,21)13-3-1-5-15(11-13)29(27,28)24-14-4-2-10-25(12-14)17-7-8-22-16-6-9-23-26(16)17/h1,3,5-9,11,14H,2,4,10,12H2,(H-,24,27,28).
What are the key properties of CID 134798555?
CID 134798555 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 134798555 is sourced from PubChem (CID 134798555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).