N-benzylnaphthalene-1-sulfonamide

C17H15NO2S — CID 3844256

IUPACN-benzylnaphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H15NO2S/c19-21(20,18-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2
InChIKeyZCMTYVMLHHPNJB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.32
Rot. Bonds4

About N-benzylnaphthalene-1-sulfonamide

N-benzylnaphthalene-1-sulfonamide (PubChem CID 3844256) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-benzylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-benzylnaphthalene-1-sulfonamide
PubChem CID3844256
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-benzylnaphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H15NO2S/c19-21(20,18-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2
InChIKeyZCMTYVMLHHPNJB-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
CID 3709466
N-benzyl-4-hydroxynaphthalene-1-sulfonamide
CID 57096004
N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
CID 3854839
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300

Frequently Asked Questions

What is the IUPAC name of N-benzylnaphthalene-1-sulfonamide?
The IUPAC name of N-benzylnaphthalene-1-sulfonamide (CID 3844256) is N-benzylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-benzylnaphthalene-1-sulfonamide?
The canonical SMILES for N-benzylnaphthalene-1-sulfonamide is O=S(=O)(NCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-benzylnaphthalene-1-sulfonamide?
The InChIKey is ZCMTYVMLHHPNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-21(20,18-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2.
What are the key properties of N-benzylnaphthalene-1-sulfonamide?
N-benzylnaphthalene-1-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylnaphthalene-1-sulfonamide is sourced from PubChem (CID 3844256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).