N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide

C25H23NO3S — CID 2899093

IUPACN,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H23NO3S/c1-29-24-16-17-25(23-15-9-8-14-22(23)24)30(27,28)26(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-17H,18-19H2,1H3
InChIKeyPIPKNIBAHWMGEE-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.24
Rot. Bonds7

About N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide

N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide (PubChem CID 2899093) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
PubChem CID2899093
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC NameN,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H23NO3S/c1-29-24-16-17-25(23-15-9-8-14-22(23)24)30(27,28)26(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-17H,18-19H2,1H3
InChIKeyPIPKNIBAHWMGEE-UHFFFAOYSA-N
XLogP5.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-(3-aminopropyl)-N-benzyl-3-fluoro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120713836
N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
CID 10215206
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide (CID 2899093) is N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc12.
What is the InChIKey of N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide?
The InChIKey is PIPKNIBAHWMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3S/c1-29-24-16-17-25(23-15-9-8-14-22(23)24)30(27,28)26(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-17H,18-19H2,1H3.
What are the key properties of N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide?
N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide has a molecular weight of 417.53 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 2899093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).