N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C16H14ClF3N2O4S — CID 78781618

IUPACN-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClF3N2O4S/c17-14-4-2-1-3-11(14)9-21-15(23)10-22-27(24,25)13-7-5-12(6-8-13)26-16(18,19)20/h1-8,22H,9-10H2,(H,21,23)
InChIKeyRBXWAKXNQGNGPR-UHFFFAOYSA-N
MW422.81 g/mol
LogP2.83
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 78781618) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID78781618
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClF3N2O4S/c17-14-4-2-1-3-11(14)9-21-15(23)10-22-27(24,25)13-7-5-12(6-8-13)26-16(18,19)20/h1-8,22H,9-10H2,(H,21,23)
InChIKeyRBXWAKXNQGNGPR-UHFFFAOYSA-N
XLogP2.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78768135
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-[(2-chlorophenyl)methyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 3873700
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112993348
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955216
N-[(2-chlorophenyl)methyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374108
N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
CID 9165246
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 78781618) is N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is RBXWAKXNQGNGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c17-14-4-2-1-3-11(14)9-21-15(23)10-22-27(24,25)13-7-5-12(6-8-13)26-16(18,19)20/h1-8,22H,9-10H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 422.81 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 78781618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).