CID 134793690

C17H16N4O2S — CID 134793690

IUPAC—
SMILESO=[S+]([O-])(c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H16N4O2S/c22-24(23,15-9-5-2-6-10-15)20-11-12-21-16(13-20)18-19-17(21)14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyJBWMUWYGUOJOLL-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.36
Rot. Bonds3

About CID 134793690

CID 134793690 (PubChem CID 134793690) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol.

Molecular Properties

Compound NameCID 134793690
PubChem CID134793690
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name—
SMILESO=[S+]([O-])(c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H16N4O2S/c22-24(23,15-9-5-2-6-10-15)20-11-12-21-16(13-20)18-19-17(21)14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyJBWMUWYGUOJOLL-UHFFFAOYSA-N
XLogP2.36
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
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

N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 2547678
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
N-[4-[4-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)-1-piperidyl]-2-phenyl-butyl]benzenesulfonamide
CID 53317651
3-phenyl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134794686
2-(3-piperidin-1-ylsulfonylphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
CID 2321335
N-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 44318267
1-[[3-Methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]-4-methylsulfonylpiperazine
CID 53549998
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

Frequently Asked Questions

What is the IUPAC name of CID 134793690?
The IUPAC name of CID 134793690 (CID 134793690) is not available.
What is the SMILES notation for CID 134793690?
The canonical SMILES for CID 134793690 is O=[S+]([O-])(c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of CID 134793690?
The InChIKey is JBWMUWYGUOJOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-24(23,15-9-5-2-6-10-15)20-11-12-21-16(13-20)18-19-17(21)14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of CID 134793690?
CID 134793690 has a molecular weight of 340.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134793690 is sourced from PubChem (CID 134793690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).