N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

C21H19FN2O3S — CID 8015645

IUPACN-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C21H19FN2O3S/c1-14-3-12-20(15(2)13-14)23-21(25)16-4-8-18(9-5-16)24-28(26,27)19-10-6-17(22)7-11-19/h3-13,24H,1-2H3,(H,23,25)
InChIKeyQNXKNAKNTYJQCV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 8015645) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID8015645
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C21H19FN2O3S/c1-14-3-12-20(15(2)13-14)23-21(25)16-4-8-18(9-5-16)24-28(26,27)19-10-6-17(22)7-11-19/h3-13,24H,1-2H3,(H,23,25)
InChIKeyQNXKNAKNTYJQCV-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 8015645) is N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is QNXKNAKNTYJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-3-12-20(15(2)13-14)23-21(25)16-4-8-18(9-5-16)24-28(26,27)19-10-6-17(22)7-11-19/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 8015645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).