N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide

C15H20N2O4S2 — CID 49459732

IUPACN-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2O4S2/c1-2-22(18,19)16-10-5-11-17-23(20,21)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,16-17H,2,5,10-11H2,1H3
InChIKeyOZNKOBKSTIWOID-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.45
Rot. Bonds8

About N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide

N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide (PubChem CID 49459732) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
PubChem CID49459732
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC NameN-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2O4S2/c1-2-22(18,19)16-10-5-11-17-23(20,21)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,16-17H,2,5,10-11H2,1H3
InChIKeyOZNKOBKSTIWOID-UHFFFAOYSA-N
XLogP1.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.45
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-nonylnaphthalene-2-sulfonamide
CID 19681387
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
hexadecyl-dimethyl-[3-(naphthalen-2-ylsulfonylamino)propyl]azanium
CID 171341490
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
CID 55663765
2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
CID 2459418
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide (CID 49459732) is N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide is CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide?
The InChIKey is OZNKOBKSTIWOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-2-22(18,19)16-10-5-11-17-23(20,21)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,16-17H,2,5,10-11H2,1H3.
What are the key properties of N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide?
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 49459732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).