N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide

C17H21NO2S — CID 2559624

IUPACN-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-3-7-15-10-12-17(13-11-15)21(19,20)18-14(2)16-8-5-4-6-9-16/h4-6,8-14,18H,3,7H2,1-2H3/t14-/m0/s1
InChIKeyXVVFRJMXNNWISK-AWEZNQCLSA-N
MW303.43 g/mol
LogP3.68
Rot. Bonds6

About N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide

N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide (PubChem CID 2559624) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
PubChem CID2559624
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-3-7-15-10-12-17(13-11-15)21(19,20)18-14(2)16-8-5-4-6-9-16/h4-6,8-14,18H,3,7H2,1-2H3/t14-/m0/s1
InChIKeyXVVFRJMXNNWISK-AWEZNQCLSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide (CID 2559624) is N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide?
The InChIKey is XVVFRJMXNNWISK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-3-7-15-10-12-17(13-11-15)21(19,20)18-14(2)16-8-5-4-6-9-16/h4-6,8-14,18H,3,7H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide?
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 2559624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).