2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide

C18H20N2O4S — CID 28533880

IUPAC2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2O4S/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)19-25(23,24)18-9-5-4-8-17(18)20(21)22/h4-5,8-13,19H,2-3,6-7H2,1H3/t13-/m1/s1
InChIKeyUFNJQZRCYFWIMX-CYBMUJFWSA-N
MW360.44 g/mol
LogP3.51
Rot. Bonds5

About 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide

2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide (PubChem CID 28533880) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
PubChem CID28533880
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2O4S/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)19-25(23,24)18-9-5-4-8-17(18)20(21)22/h4-5,8-13,19H,2-3,6-7H2,1H3/t13-/m1/s1
InChIKeyUFNJQZRCYFWIMX-CYBMUJFWSA-N
XLogP3.51
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide 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-(4-ethylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 22200976
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-[1-(2-chlorophenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999444
2-(2-nitrophenyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 26419609
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
2-nitro-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217921
N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999446
tert-butyl (2R,5S)-5-[(2-nitrophenyl)sulfonylamino]-4-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)hexanoate
CID 152906999
1,3-dimethyl-2,4-dioxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 24511010
2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41083773
1-(2-fluorophenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 52857415

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide (CID 28533880) is 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is UFNJQZRCYFWIMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)19-25(23,24)18-9-5-4-8-17(18)20(21)22/h4-5,8-13,19H,2-3,6-7H2,1H3/t13-/m1/s1.
What are the key properties of 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 28533880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).