N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide

C20H21NO4S2 — CID 55663765

IUPACN-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(CCCNS(=O)(=O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C20H21NO4S2/c22-26(23,16-17-7-2-1-3-8-17)14-6-13-21-27(24,25)20-12-11-18-9-4-5-10-19(18)15-20/h1-5,7-12,15,21H,6,13-14,16H2
InChIKeyJOXAJCZGYZABNY-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.12
Rot. Bonds8

About N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide

N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide (PubChem CID 55663765) has the molecular formula C20H21NO4S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
PubChem CID55663765
Molecular FormulaC20H21NO4S2
Molecular Weight403.53 g/mol
Exact Mass403.09
IUPAC NameN-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(CCCNS(=O)(=O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C20H21NO4S2/c22-26(23,16-17-7-2-1-3-8-17)14-6-13-21-27(24,25)20-12-11-18-9-4-5-10-19(18)15-20/h1-5,7-12,15,21H,6,13-14,16H2
InChIKeyJOXAJCZGYZABNY-UHFFFAOYSA-N
XLogP3.12
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
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-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide
CID 55884732
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-(3-benzylsulfonylpropyl)-4-chloro-2-methylbenzenesulfonamide
CID 55905317
(3-methylphenyl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate
CID 42981634
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
hexadecyl-dimethyl-[3-(naphthalen-2-ylsulfonylamino)propyl]azanium
CID 171341490

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide (CID 55663765) is N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide is O=S(=O)(CCCNS(=O)(=O)c1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide?
The InChIKey is JOXAJCZGYZABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S2/c22-26(23,16-17-7-2-1-3-8-17)14-6-13-21-27(24,25)20-12-11-18-9-4-5-10-19(18)15-20/h1-5,7-12,15,21H,6,13-14,16H2.
What are the key properties of N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide?
N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide has a molecular weight of 403.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 55663765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).