N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide

C24H21NO2S — CID 12853132

IUPACN-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H21NO2S/c1-19-14-16-22(17-15-19)28(26,27)25(18-20-8-3-2-4-9-20)24-13-7-11-21-10-5-6-12-23(21)24/h2-17H,18H2,1H3
InChIKeyCGZPBVGRQUWMDM-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.54
Rot. Bonds5

About N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide

N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 12853132) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID12853132
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC NameN-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H21NO2S/c1-19-14-16-22(17-15-19)28(26,27)25(18-20-8-3-2-4-9-20)24-13-7-11-21-10-5-6-12-23(21)24/h2-17H,18H2,1H3
InChIKeyCGZPBVGRQUWMDM-UHFFFAOYSA-N
XLogP5.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide (CID 12853132) is N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is CGZPBVGRQUWMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-19-14-16-22(17-15-19)28(26,27)25(18-20-8-3-2-4-9-20)24-13-7-11-21-10-5-6-12-23(21)24/h2-17H,18H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 12853132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).