N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide

C20H27NO2S — CID 22772310

IUPACN-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27NO2S/c1-6-16-7-13-19(14-8-16)24(22,23)21-15(2)17-9-11-18(12-10-17)20(3,4)5/h7-15,21H,6H2,1-5H3
InChIKeyPXXDOASNDJYMLG-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.59
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide

N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide (PubChem CID 22772310) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
PubChem CID22772310
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27NO2S/c1-6-16-7-13-19(14-8-16)24(22,23)21-15(2)17-9-11-18(12-10-17)20(3,4)5/h7-15,21H,6H2,1-5H3
InChIKeyPXXDOASNDJYMLG-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 60639559
4-ethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815254
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide (CID 22772310) is N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is PXXDOASNDJYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-6-16-7-13-19(14-8-16)24(22,23)21-15(2)17-9-11-18(12-10-17)20(3,4)5/h7-15,21H,6H2,1-5H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide?
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 22772310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).