CID 134797030

C25H24ClF3N2O2S — CID 134797030

IUPAC—
SMILESCc1ccc(-c2ccccc2CN2CCN([S+](=O)([O-])c3cccc(C(F)(F)F)c3)CC2)cc1Cl
InChIInChI=1S/C25H24ClF3N2O2S/c1-18-9-10-19(15-24(18)26)23-8-3-2-5-20(23)17-30-11-13-31(14-12-30)34(32,33)22-7-4-6-21(16-22)25(27,28)29/h2-10,15-16H,11-14,17H2,1H3
InChIKeyZWYTVCAZXKEYGX-UHFFFAOYSA-N
MW508.99 g/mol
LogP6.06
Rot. Bonds5

About CID 134797030

CID 134797030 (PubChem CID 134797030) has the molecular formula C25H24ClF3N2O2S and a molecular weight of 508.99 g/mol.

Molecular Properties

Compound NameCID 134797030
PubChem CID134797030
Molecular FormulaC25H24ClF3N2O2S
Molecular Weight508.99 g/mol
Exact Mass508.12
IUPAC Name—
SMILESCc1ccc(-c2ccccc2CN2CCN([S+](=O)([O-])c3cccc(C(F)(F)F)c3)CC2)cc1Cl
InChIInChI=1S/C25H24ClF3N2O2S/c1-18-9-10-19(15-24(18)26)23-8-3-2-5-20(23)17-30-11-13-31(14-12-30)34(32,33)22-7-4-6-21(16-22)25(27,28)29/h2-10,15-16H,11-14,17H2,1H3
InChIKeyZWYTVCAZXKEYGX-UHFFFAOYSA-N
XLogP6.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.99
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 134797030 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

1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine
CID 983835
CID 134799421
CID 134799421
CID 134803250
CID 134803250
1-[5,5-Bis(4-fluorophenyl)pentyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 162648107
CID 134802594
CID 134802594
1-(4-Chloro-2,5-dimethylbenzenesulfonyl)-4-(diphenylmethyl)piperazine
CID 19682706
CID 134797689
CID 134797689
CID 134798978
CID 134798978
CID 134799301
CID 134799301
CID 134799543
CID 134799543
1-[(4-Chlorophenyl)sulfonyl]-4-[4-(trifluoromethyl)benzyl]piperazine
CID 1122501
1-[(4-Chlorophenyl)sulfonyl]-4-[2-(trifluoromethyl)benzyl]piperazine
CID 4420871

Frequently Asked Questions

What is the IUPAC name of CID 134797030?
The IUPAC name of CID 134797030 (CID 134797030) is not available.
What is the SMILES notation for CID 134797030?
The canonical SMILES for CID 134797030 is Cc1ccc(-c2ccccc2CN2CCN([S+](=O)([O-])c3cccc(C(F)(F)F)c3)CC2)cc1Cl.
What is the InChIKey of CID 134797030?
The InChIKey is ZWYTVCAZXKEYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O2S/c1-18-9-10-19(15-24(18)26)23-8-3-2-5-20(23)17-30-11-13-31(14-12-30)34(32,33)22-7-4-6-21(16-22)25(27,28)29/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of CID 134797030?
CID 134797030 has a molecular weight of 508.99 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134797030 is sourced from PubChem (CID 134797030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).