4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide

C21H18FNO3S — CID 11199940

IUPAC4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide
SMILESCc1ccc(S(=O)(=O)C(NC(=O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H18FNO3S/c1-15-7-13-19(14-8-15)27(25,26)21(17-5-3-2-4-6-17)23-20(24)16-9-11-18(22)12-10-16/h2-14,21H,1H3,(H,23,24)
InChIKeyCYQUSLOLXOCUOI-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.04
Rot. Bonds5

About 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide

4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide (PubChem CID 11199940) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide
PubChem CID11199940
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide
SMILESCc1ccc(S(=O)(=O)C(NC(=O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H18FNO3S/c1-15-7-13-19(14-8-15)27(25,26)21(17-5-3-2-4-6-17)23-20(24)16-9-11-18(22)12-10-16/h2-14,21H,1H3,(H,23,24)
InChIKeyCYQUSLOLXOCUOI-UHFFFAOYSA-N
XLogP4.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-methylphenyl)sulfonyl-phenylmethyl]thiourea
CID 86208171
tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate
CID 6917587
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
CID 9184686
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135064335
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide (CID 11199940) is 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide is Cc1ccc(S(=O)(=O)C(NC(=O)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide?
The InChIKey is CYQUSLOLXOCUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-15-7-13-19(14-8-15)27(25,26)21(17-5-3-2-4-6-17)23-20(24)16-9-11-18(22)12-10-16/h2-14,21H,1H3,(H,23,24).
What are the key properties of 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide?
4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide has a molecular weight of 383.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide is sourced from PubChem (CID 11199940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).