4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide

C17H21NO3S — CID 8762877

IUPAC4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-21-15-9-11-16(12-10-15)22(19,20)18-14(3)17-8-6-5-7-13(17)2/h5-12,14,18H,4H2,1-3H3/t14-/m0/s1
InChIKeyCUHSABIQROUMEO-AWEZNQCLSA-N
MW319.43 g/mol
LogP3.43
Rot. Bonds6

About 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide

4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 8762877) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID8762877
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-21-15-9-11-16(12-10-15)22(19,20)18-14(3)17-8-6-5-7-13(17)2/h5-12,14,18H,4H2,1-3H3/t14-/m0/s1
InChIKeyCUHSABIQROUMEO-AWEZNQCLSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51149160
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 62157966
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 8762877) is 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)cc1.
What is the InChIKey of 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is CUHSABIQROUMEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-21-15-9-11-16(12-10-15)22(19,20)18-14(3)17-8-6-5-7-13(17)2/h5-12,14,18H,4H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide?
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8762877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).