4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide

C19H21F3N2O3S — CID 20629576

IUPAC4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-12-11-14(19(20,21)22)7-10-16(12)23-17(25)13-5-8-15(9-6-13)24-28(26,27)18(2,3)4/h5-11,24H,1-4H3,(H,23,25)
InChIKeyRDXWBWMNBIOBSS-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.81
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide

4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 20629576) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide
PubChem CID20629576
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-12-11-14(19(20,21)22)7-10-16(12)23-17(25)13-5-8-15(9-6-13)24-28(26,27)18(2,3)4/h5-11,24H,1-4H3,(H,23,25)
InChIKeyRDXWBWMNBIOBSS-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide (CID 20629576) is 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide is Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RDXWBWMNBIOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-12-11-14(19(20,21)22)7-10-16(12)23-17(25)13-5-8-15(9-6-13)24-28(26,27)18(2,3)4/h5-11,24H,1-4H3,(H,23,25).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide?
4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 414.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 20629576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).