N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H22N2O2S — CID 120715722

IUPACN-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESNc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H22N2O2S/c19-17-8-5-14(6-9-17)11-12-20-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h5-10,13,20H,1-4,11-12,19H2
InChIKeyLFQJANUOHOHTJZ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 120715722) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID120715722
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESNc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H22N2O2S/c19-17-8-5-14(6-9-17)11-12-20-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h5-10,13,20H,1-4,11-12,19H2
InChIKeyLFQJANUOHOHTJZ-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890289
1-acetyl-N-[2-(4-aminophenyl)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 120715780
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24544389
4-N-[2-(4-aminophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875967
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 63767527
1-N-[2-(4-aminophenyl)ethyl]-3-N-cyclopropylbenzene-1,3-disulfonamide;hydrochloride
CID 120715618

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 120715722) is N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Nc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is LFQJANUOHOHTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c19-17-8-5-14(6-9-17)11-12-20-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h5-10,13,20H,1-4,11-12,19H2.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 120715722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).