N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride

C7H4ClF4NO3S2 — CID 122163425

IUPACN-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride
SMILESO=S(=O)(Cl)N=S(=O)(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C7H4ClF4NO3S2/c8-18(15,16)13-17(14,7(10,11)12)6-3-1-5(9)2-4-6/h1-4H
InChIKeyQSMFTGPNFGUKEH-UHFFFAOYSA-N
MW325.69 g/mol
LogP2.66
Rot. Bonds2

About N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride

N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 122163425) has the molecular formula C7H4ClF4NO3S2 and a molecular weight of 325.69 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID122163425
Molecular FormulaC7H4ClF4NO3S2
Molecular Weight325.69 g/mol
Exact Mass324.93
IUPAC NameN-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride
SMILESO=S(=O)(Cl)N=S(=O)(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C7H4ClF4NO3S2/c8-18(15,16)13-17(14,7(10,11)12)6-3-1-5(9)2-4-6/h1-4H
InChIKeyQSMFTGPNFGUKEH-UHFFFAOYSA-N
XLogP2.66
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.69
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride (CID 122163425) is N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride is O=S(=O)(Cl)N=S(=O)(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is QSMFTGPNFGUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO3S2/c8-18(15,16)13-17(14,7(10,11)12)6-3-1-5(9)2-4-6/h1-4H.
What are the key properties of N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride?
N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 325.69 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 122163425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).