N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C16H14ClF3N2O4S — CID 78780570

IUPACN-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c1-10-2-3-11(17)8-14(10)22-15(23)9-21-27(24,25)13-6-4-12(5-7-13)26-16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyJJOUOLSGTCZWAW-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.46
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 78780570) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID78780570
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c1-10-2-3-11(17)8-14(10)22-15(23)9-21-27(24,25)13-6-4-12(5-7-13)26-16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyJJOUOLSGTCZWAW-UHFFFAOYSA-N
XLogP3.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596364
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
N-(2,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001324
N-(5-chloro-2-methylphenyl)-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998040
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 112998145
N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 119586355
1-(5-chloro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680312

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 78780570) is N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is JJOUOLSGTCZWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c1-10-2-3-11(17)8-14(10)22-15(23)9-21-27(24,25)13-6-4-12(5-7-13)26-16(18,19)20/h2-8,21H,9H2,1H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 422.81 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 78780570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).