N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H21NO2S — CID 42913053

IUPACN-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(15-7-3-2-4-8-15)19-22(20,21)18-12-11-16-9-5-6-10-17(16)13-18/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3
InChIKeyKZBYKFUAPZQZEF-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.60
Rot. Bonds4

About N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 42913053) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID42913053
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(15-7-3-2-4-8-15)19-22(20,21)18-12-11-16-9-5-6-10-17(16)13-18/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3
InChIKeyKZBYKFUAPZQZEF-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
2-acetyl-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 51984534
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 138046849
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 42913053) is N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KZBYKFUAPZQZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(15-7-3-2-4-8-15)19-22(20,21)18-12-11-16-9-5-6-10-17(16)13-18/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3.
What are the key properties of N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 42913053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).