N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide

C14H9ClF3NOS — CID 107036187

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H9ClF3NOS/c15-10-5-9(14(16,17)18)6-11(7-10)19-13(20)8-1-3-12(21)4-2-8/h1-7,21H,(H,19,20)
InChIKeyMEGOHCUFNZDOCV-UHFFFAOYSA-N
MW331.75 g/mol
LogP4.90
Rot. Bonds2

About N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide

N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide (PubChem CID 107036187) has the molecular formula C14H9ClF3NOS and a molecular weight of 331.75 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
PubChem CID107036187
Molecular FormulaC14H9ClF3NOS
Molecular Weight331.75 g/mol
Exact Mass331.00
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H9ClF3NOS/c15-10-5-9(14(16,17)18)6-11(7-10)19-13(20)8-1-3-12(21)4-2-8/h1-7,21H,(H,19,20)
InChIKeyMEGOHCUFNZDOCV-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 116698677
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 116700273
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide (CID 107036187) is N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide is O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(S)cc1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide?
The InChIKey is MEGOHCUFNZDOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NOS/c15-10-5-9(14(16,17)18)6-11(7-10)19-13(20)8-1-3-12(21)4-2-8/h1-7,21H,(H,19,20).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide?
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide has a molecular weight of 331.75 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide is sourced from PubChem (CID 107036187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).