3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide

C16H18FNO2S — CID 40654245

IUPAC3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESC[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H18FNO2S/c1-13(10-11-14-6-3-2-4-7-14)18-21(19,20)16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3/t13-/m1/s1
InChIKeyVEERNHLPLZBXFG-CYBMUJFWSA-N
MW307.39 g/mol
LogP3.13
Rot. Bonds6

About 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide

3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide (PubChem CID 40654245) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
PubChem CID40654245
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESC[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H18FNO2S/c1-13(10-11-14-6-3-2-4-7-14)18-21(19,20)16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3/t13-/m1/s1
InChIKeyVEERNHLPLZBXFG-CYBMUJFWSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 91202186
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942
N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 63766194
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide (CID 40654245) is 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide is C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The InChIKey is VEERNHLPLZBXFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-13(10-11-14-6-3-2-4-7-14)18-21(19,20)16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 40654245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).