N-(naphthalen-1-ylmethyl)benzenesulfonamide

C17H15NO2S — CID 673883

IUPACN-(naphthalen-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2S/c19-21(20,16-10-2-1-3-11-16)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12,18H,13H2
InChIKeyYNEONVGLVPUGKV-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.32
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)benzenesulfonamide

N-(naphthalen-1-ylmethyl)benzenesulfonamide (PubChem CID 673883) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)benzenesulfonamide
PubChem CID673883
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(naphthalen-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2S/c19-21(20,16-10-2-1-3-11-16)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12,18H,13H2
InChIKeyYNEONVGLVPUGKV-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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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)benzenesulfonamide (CID 673883) is N-(naphthalen-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The InChIKey is YNEONVGLVPUGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-21(20,16-10-2-1-3-11-16)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12,18H,13H2.
What are the key properties of N-(naphthalen-1-ylmethyl)benzenesulfonamide?
N-(naphthalen-1-ylmethyl)benzenesulfonamide 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-(naphthalen-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 673883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).