N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide

C22H20N2O4S2 — CID 30170513

IUPACN-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O4S2/c25-29(26,21-11-9-17-5-1-3-7-19(17)15-21)23-13-14-24-30(27,28)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16,23-24H,13-14H2
InChIKeyUAPGUTMIZIYVDP-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide

N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide (PubChem CID 30170513) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
PubChem CID30170513
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC NameN-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O4S2/c25-29(26,21-11-9-17-5-1-3-7-19(17)15-21)23-13-14-24-30(27,28)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16,23-24H,13-14H2
InChIKeyUAPGUTMIZIYVDP-UHFFFAOYSA-N
XLogP3.25
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
N-nonylnaphthalene-2-sulfonamide
CID 19681387
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
CID 2459418
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
CID 55663765
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide (CID 30170513) is N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide?
The InChIKey is UAPGUTMIZIYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c25-29(26,21-11-9-17-5-1-3-7-19(17)15-21)23-13-14-24-30(27,28)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16,23-24H,13-14H2.
What are the key properties of N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide?
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide has a molecular weight of 440.55 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 30170513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).