N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide

C17H21NO3S — CID 27511343

IUPACN-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-4-14-5-7-15(8-6-14)13(2)18-22(19,20)17-11-9-16(21-3)10-12-17/h5-13,18H,4H2,1-3H3/t13-/m0/s1
InChIKeyXPECEXFIBPPNMK-ZDUSSCGKSA-N
MW319.43 g/mol
LogP3.30
Rot. Bonds6

About N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide

N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 27511343) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID27511343
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-4-14-5-7-15(8-6-14)13(2)18-22(19,20)17-11-9-16(21-3)10-12-17/h5-13,18H,4H2,1-3H3/t13-/m0/s1
InChIKeyXPECEXFIBPPNMK-ZDUSSCGKSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100500705
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide (CID 27511343) is N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide is CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is XPECEXFIBPPNMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-14-5-7-15(8-6-14)13(2)18-22(19,20)17-11-9-16(21-3)10-12-17/h5-13,18H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide?
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 27511343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).