N-(1-phenylethyl)benzenesulfonamide;hydrochloride

C14H16ClNO2S — CID 70281153

IUPACN-(1-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C14H15NO2S.ClH/c1-12(13-8-4-2-5-9-13)15-18(16,17)14-10-6-3-7-11-14;/h2-12,15H,1H3;1H
InChIKeyZKZRNJDMBVIWIP-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.15
Rot. Bonds4

About N-(1-phenylethyl)benzenesulfonamide;hydrochloride

N-(1-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 70281153) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is N-(1-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID70281153
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC NameN-(1-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C14H15NO2S.ClH/c1-12(13-8-4-2-5-9-13)15-18(16,17)14-10-6-3-7-11-14;/h2-12,15H,1H3;1H
InChIKeyZKZRNJDMBVIWIP-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-phenylethyl)benzenesulfonamide;hydrochloride (CID 70281153) is N-(1-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-phenylethyl)benzenesulfonamide;hydrochloride is CC(NS(=O)(=O)c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is ZKZRNJDMBVIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S.ClH/c1-12(13-8-4-2-5-9-13)15-18(16,17)14-10-6-3-7-11-14;/h2-12,15H,1H3;1H.
What are the key properties of N-(1-phenylethyl)benzenesulfonamide;hydrochloride?
N-(1-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 70281153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).