CID 134792017

C18H18N4O2S — CID 134792017

IUPAC—
SMILESCc1ccc([S+](=O)([O-])N2CCn3c(nnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C18H18N4O2S/c1-14-7-9-16(10-8-14)25(23,24)21-11-12-22-17(13-21)19-20-18(22)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyXILFTRMAOBMVIG-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.67
Rot. Bonds3

About CID 134792017

CID 134792017 (PubChem CID 134792017) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol.

Molecular Properties

Compound NameCID 134792017
PubChem CID134792017
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name—
SMILESCc1ccc([S+](=O)([O-])N2CCn3c(nnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C18H18N4O2S/c1-14-7-9-16(10-8-14)25(23,24)21-11-12-22-17(13-21)19-20-18(22)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyXILFTRMAOBMVIG-UHFFFAOYSA-N
XLogP2.67
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 134792017 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 2547678
1-(4-Methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
4-{4-Ethyl-5-[4-(piperidine-1-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanylmethyl}-benzonitrile
CID 654078
1-[4-(5-Benzylsulfanyl-4-ethyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonyl]-piperidine
CID 653852
1-[4-(4-Ethyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonyl]-piperidine
CID 1173404
N-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 2422401
1-(4-Fluoro-3-methylbenzenesulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-YL)piperidine
CID 91905033
7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625432
1-(4-Fluorobenzenesulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-YL)piperidine
CID 124041257
7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134795339
CID 134799221
CID 134799221
5-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 2809274

Frequently Asked Questions

What is the IUPAC name of CID 134792017?
The IUPAC name of CID 134792017 (CID 134792017) is not available.
What is the SMILES notation for CID 134792017?
The canonical SMILES for CID 134792017 is Cc1ccc([S+](=O)([O-])N2CCn3c(nnc3-c3ccccc3)C2)cc1.
What is the InChIKey of CID 134792017?
The InChIKey is XILFTRMAOBMVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-14-7-9-16(10-8-14)25(23,24)21-11-12-22-17(13-21)19-20-18(22)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of CID 134792017?
CID 134792017 has a molecular weight of 354.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134792017 is sourced from PubChem (CID 134792017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).