CID 134797144

C18H18F3N5O2S — CID 134797144

IUPAC—
SMILESO=[S+]([O-])(c1cccc(C(F)(F)F)c1)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)14-3-1-4-15(13-14)29(27,28)25-10-2-9-24(11-12-25)17-6-7-22-16-5-8-23-26(16)17/h1,3-8,13H,2,9-12H2
InChIKeyODNCODSKOCMPPZ-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.86
Rot. Bonds3

About CID 134797144

CID 134797144 (PubChem CID 134797144) has the molecular formula C18H18F3N5O2S and a molecular weight of 425.44 g/mol.

Molecular Properties

Compound NameCID 134797144
PubChem CID134797144
Molecular FormulaC18H18F3N5O2S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC Name—
SMILESO=[S+]([O-])(c1cccc(C(F)(F)F)c1)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)14-3-1-4-15(13-14)29(27,28)25-10-2-9-24(11-12-25)17-6-7-22-16-5-8-23-26(16)17/h1,3-8,13H,2,9-12H2
InChIKeyODNCODSKOCMPPZ-UHFFFAOYSA-N
XLogP2.86
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
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

N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-3-cyano-N-methylbenzenesulfonamide
CID 122188256
3-[(2R,4S)-1-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-4-fluoropyrrolidin-2-yl]-5-fluorobenzenesulfonamide
CID 129148020
4-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-3-yl]benzenesulfonamide
CID 118716666
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-3-fluoro-N-methylbenzenesulfonamide
CID 122188257
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-4-fluoro-N-methylbenzenesulfonamide
CID 122188259
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-3,4-difluoro-N-methylbenzenesulfonamide
CID 122188260
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 122188267
CID 134796185
CID 134796185
1-{[1,2,4]Triazolo[4,3-b]pyridazin-6-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine
CID 25889823
1-{[1,2,4]Triazolo[4,3-b]pyridazin-6-yl}-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine
CID 25889824
1-(4-Fluoro-3-methylbenzenesulfonyl)-4-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine
CID 25889850
1-{3-Ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine
CID 25889936

Frequently Asked Questions

What is the IUPAC name of CID 134797144?
The IUPAC name of CID 134797144 (CID 134797144) is not available.
What is the SMILES notation for CID 134797144?
The canonical SMILES for CID 134797144 is O=[S+]([O-])(c1cccc(C(F)(F)F)c1)N1CCCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of CID 134797144?
The InChIKey is ODNCODSKOCMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2S/c19-18(20,21)14-3-1-4-15(13-14)29(27,28)25-10-2-9-24(11-12-25)17-6-7-22-16-5-8-23-26(16)17/h1,3-8,13H,2,9-12H2.
What are the key properties of CID 134797144?
CID 134797144 has a molecular weight of 425.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134797144 is sourced from PubChem (CID 134797144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).