N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide

C12H11ClF3NOS — CID 110863729

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCSC1
InChIInChI=1S/C12H11ClF3NOS/c13-10-2-1-8(5-9(10)12(14,15)16)17-11(18)7-3-4-19-6-7/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeyGNTZIDZQRUUCAT-UHFFFAOYSA-N
MW309.74 g/mol
LogP4.05
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide (PubChem CID 110863729) has the molecular formula C12H11ClF3NOS and a molecular weight of 309.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
PubChem CID110863729
Molecular FormulaC12H11ClF3NOS
Molecular Weight309.74 g/mol
Exact Mass309.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCSC1
InChIInChI=1S/C12H11ClF3NOS/c13-10-2-1-8(5-9(10)12(14,15)16)17-11(18)7-3-4-19-6-7/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeyGNTZIDZQRUUCAT-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
CID 103824576
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43132893
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 40977144
N-[4-chloro-3-(trifluoromethyl)phenyl]thian-3-amine
CID 55129445
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 126184126
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 120783138
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide (CID 110863729) is N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCSC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide?
The InChIKey is GNTZIDZQRUUCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NOS/c13-10-2-1-8(5-9(10)12(14,15)16)17-11(18)7-3-4-19-6-7/h1-2,5,7H,3-4,6H2,(H,17,18).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide has a molecular weight of 309.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide is sourced from PubChem (CID 110863729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).