3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide

C17H21NO2S — CID 91202186

IUPAC3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C17H21NO2S/c1-14(2)18-21(19,20)17-10-6-9-16(13-17)12-11-15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3
InChIKeyLOQQTMHWXPEPCM-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.16
Rot. Bonds6

About 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide

3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 91202186) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID91202186
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C17H21NO2S/c1-14(2)18-21(19,20)17-10-6-9-16(13-17)12-11-15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3
InChIKeyLOQQTMHWXPEPCM-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
3-[[(4-bromophenyl)sulfonylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 35395491
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360
N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106029965
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
2-[[3-(methoxymethyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122068021
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
CID 46764322

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide (CID 91202186) is 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cccc(CCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LOQQTMHWXPEPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14(2)18-21(19,20)17-10-6-9-16(13-17)12-11-15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3.
What are the key properties of 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide?
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 91202186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).