N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide

C16H17FN2O3S — CID 51537719

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-11(12-3-7-14(17)8-4-12)19-16(20)13-5-9-15(10-6-13)23(21,22)18-2/h3-11,18H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyTYRIBRZHTQOARA-LLVKDONJSA-N
MW336.39 g/mol
LogP2.22
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide (PubChem CID 51537719) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
PubChem CID51537719
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-11(12-3-7-14(17)8-4-12)19-16(20)13-5-9-15(10-6-13)23(21,22)18-2/h3-11,18H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyTYRIBRZHTQOARA-LLVKDONJSA-N
XLogP2.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
4-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27773510
4-(methylsulfamoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51221629
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46440684

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide (CID 51537719) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is TYRIBRZHTQOARA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11(12-3-7-14(17)8-4-12)19-16(20)13-5-9-15(10-6-13)23(21,22)18-2/h3-11,18H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51537719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).