N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide

C15H11Cl4NOS — CID 54288975

IUPACN-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide
SMILESO=C(c1ccccc1)N(SC(Cl)(Cl)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H11Cl4NOS/c16-14(17)15(18,19)22-20(12-9-5-2-6-10-12)13(21)11-7-3-1-4-8-11/h1-10,14H
InChIKeyRWDRSHBLYPAOIT-UHFFFAOYSA-N
MW395.14 g/mol
LogP5.92
Rot. Bonds5

About N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide

N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide (PubChem CID 54288975) has the molecular formula C15H11Cl4NOS and a molecular weight of 395.14 g/mol. Its IUPAC name is N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide
PubChem CID54288975
Molecular FormulaC15H11Cl4NOS
Molecular Weight395.14 g/mol
Exact Mass392.93
IUPAC NameN-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide
SMILESO=C(c1ccccc1)N(SC(Cl)(Cl)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H11Cl4NOS/c16-14(17)15(18,19)22-20(12-9-5-2-6-10-12)13(21)11-7-3-1-4-8-11/h1-10,14H
InChIKeyRWDRSHBLYPAOIT-UHFFFAOYSA-N
XLogP5.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.14
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide?
The IUPAC name of N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide (CID 54288975) is N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide.
What is the SMILES notation for N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide?
The canonical SMILES for N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide is O=C(c1ccccc1)N(SC(Cl)(Cl)C(Cl)Cl)c1ccccc1.
What is the InChIKey of N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide?
The InChIKey is RWDRSHBLYPAOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NOS/c16-14(17)15(18,19)22-20(12-9-5-2-6-10-12)13(21)11-7-3-1-4-8-11/h1-10,14H.
What are the key properties of N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide?
N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide has a molecular weight of 395.14 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(1,1,2,2-tetrachloroethylsulfanyl)benzamide is sourced from PubChem (CID 54288975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).