N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

C18H19F3N2O3S — CID 20628846

IUPACN-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-11(2)27(25,26)23-15-7-4-13(5-8-15)17(24)22-16-9-6-14(10-12(16)3)18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyOTMIODAVWYSVJB-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.42
Rot. Bonds5

About N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide

N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 20628846) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID20628846
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-11(2)27(25,26)23-15-7-4-13(5-8-15)17(24)22-16-9-6-14(10-12(16)3)18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyOTMIODAVWYSVJB-UHFFFAOYSA-N
XLogP4.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide (CID 20628846) is N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is OTMIODAVWYSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-11(2)27(25,26)23-15-7-4-13(5-8-15)17(24)22-16-9-6-14(10-12(16)3)18(19,20)21/h4-11,23H,1-3H3,(H,22,24).
What are the key properties of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide?
N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 400.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 20628846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).