N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

C16H14ClF3N2O3S2 — CID 100573030

IUPACN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1NC(C)=O
InChIInChI=1S/C16H14ClF3N2O3S2/c1-9(23)21-14-8-11(4-6-15(14)26-2)27(24,25)22-13-7-10(16(18,19)20)3-5-12(13)17/h3-8,22H,1-2H3,(H,21,23)
InChIKeyWMRQBSLXBQPIQW-UHFFFAOYSA-N
MW438.88 g/mol
LogP4.84
Rot. Bonds5

About N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100573030) has the molecular formula C16H14ClF3N2O3S2 and a molecular weight of 438.88 g/mol. Its IUPAC name is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100573030
Molecular FormulaC16H14ClF3N2O3S2
Molecular Weight438.88 g/mol
Exact Mass438.01
IUPAC NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1NC(C)=O
InChIInChI=1S/C16H14ClF3N2O3S2/c1-9(23)21-14-8-11(4-6-15(14)26-2)27(24,25)22-13-7-10(16(18,19)20)3-5-12(13)17/h3-8,22H,1-2H3,(H,21,23)
InChIKeyWMRQBSLXBQPIQW-UHFFFAOYSA-N
XLogP4.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
CID 100732898
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 133184392
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
(E)-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 155125581
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110424614
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100573030) is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1NC(C)=O.
What is the InChIKey of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is WMRQBSLXBQPIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S2/c1-9(23)21-14-8-11(4-6-15(14)26-2)27(24,25)22-13-7-10(16(18,19)20)3-5-12(13)17/h3-8,22H,1-2H3,(H,21,23).
What are the key properties of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 438.88 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100573030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).