N-(1-benzylnaphthalen-2-yl)methanesulfonamide

C18H17NO2S — CID 176881930

IUPACN-(1-benzylnaphthalen-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccccc2c1Cc1ccccc1
InChIInChI=1S/C18H17NO2S/c1-22(20,21)19-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14/h2-12,19H,13H2,1H3
InChIKeyWCHDGSBHYDCSLX-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.80
Rot. Bonds4

About N-(1-benzylnaphthalen-2-yl)methanesulfonamide

N-(1-benzylnaphthalen-2-yl)methanesulfonamide (PubChem CID 176881930) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1-benzylnaphthalen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylnaphthalen-2-yl)methanesulfonamide
PubChem CID176881930
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(1-benzylnaphthalen-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccccc2c1Cc1ccccc1
InChIInChI=1S/C18H17NO2S/c1-22(20,21)19-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14/h2-12,19H,13H2,1H3
InChIKeyWCHDGSBHYDCSLX-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylnaphthalen-2-yl)methanesulfonamide?
The IUPAC name of N-(1-benzylnaphthalen-2-yl)methanesulfonamide (CID 176881930) is N-(1-benzylnaphthalen-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-benzylnaphthalen-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-benzylnaphthalen-2-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2ccccc2c1Cc1ccccc1.
What is the InChIKey of N-(1-benzylnaphthalen-2-yl)methanesulfonamide?
The InChIKey is WCHDGSBHYDCSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-22(20,21)19-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14/h2-12,19H,13H2,1H3.
What are the key properties of N-(1-benzylnaphthalen-2-yl)methanesulfonamide?
N-(1-benzylnaphthalen-2-yl)methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylnaphthalen-2-yl)methanesulfonamide is sourced from PubChem (CID 176881930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).