N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide

C20H21NO2S — CID 22200980

IUPACN-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H21NO2S/c1-3-16-8-10-17(11-9-16)15(2)21-24(22,23)20-13-12-18-6-4-5-7-19(18)14-20/h4-15,21H,3H2,1-2H3
InChIKeyIHWGDTITASMPDF-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.44
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide

N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide (PubChem CID 22200980) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
PubChem CID22200980
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H21NO2S/c1-3-16-8-10-17(11-9-16)15(2)21-24(22,23)20-13-12-18-6-4-5-7-19(18)14-20/h4-15,21H,3H2,1-2H3
InChIKeyIHWGDTITASMPDF-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 60639559
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100500705
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]naphthalene-2-sulfonamide
CID 8814679
3-ethyl-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100727583
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide (CID 22200980) is N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide is CCc1ccc(C(C)NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is IHWGDTITASMPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-3-16-8-10-17(11-9-16)15(2)21-24(22,23)20-13-12-18-6-4-5-7-19(18)14-20/h4-15,21H,3H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide?
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22200980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).