N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide

C16H11ClF6N2O3S — CID 3781466

IUPACN-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H11ClF6N2O3S/c1-8(26)24-14-3-2-11(7-13(14)17)25-29(27,28)12-5-9(15(18,19)20)4-10(6-12)16(21,22)23/h2-7,25H,1H3,(H,24,26)
InChIKeyGRBHALWGPACRSA-UHFFFAOYSA-N
MW460.78 g/mol
LogP5.14
Rot. Bonds4

About N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide

N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide (PubChem CID 3781466) has the molecular formula C16H11ClF6N2O3S and a molecular weight of 460.78 g/mol. Its IUPAC name is N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
PubChem CID3781466
Molecular FormulaC16H11ClF6N2O3S
Molecular Weight460.78 g/mol
Exact Mass460.01
IUPAC NameN-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H11ClF6N2O3S/c1-8(26)24-14-3-2-11(7-13(14)17)25-29(27,28)12-5-9(15(18,19)20)4-10(6-12)16(21,22)23/h2-7,25H,1H3,(H,24,26)
InChIKeyGRBHALWGPACRSA-UHFFFAOYSA-N
XLogP5.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.78
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide (CID 3781466) is N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide?
The InChIKey is GRBHALWGPACRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N2O3S/c1-8(26)24-14-3-2-11(7-13(14)17)25-29(27,28)12-5-9(15(18,19)20)4-10(6-12)16(21,22)23/h2-7,25H,1H3,(H,24,26).
What are the key properties of N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide?
N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide has a molecular weight of 460.78 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide is sourced from PubChem (CID 3781466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).