5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide

C24H22N2O3S — CID 69048106

IUPAC5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3ccc(OCc4ccccc4)cc3)cccc12
InChIInChI=1S/C24H22N2O3S/c25-23-10-4-9-22-21(23)8-5-11-24(22)30(27,28)26-16-18-12-14-20(15-13-18)29-17-19-6-2-1-3-7-19/h1-15,26H,16-17,25H2
InChIKeyYZLYCPRRCDMCEZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.48
Rot. Bonds7

About 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide

5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide (PubChem CID 69048106) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide
PubChem CID69048106
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3ccc(OCc4ccccc4)cc3)cccc12
InChIInChI=1S/C24H22N2O3S/c25-23-10-4-9-22-21(23)8-5-11-24(22)30(27,28)26-16-18-12-14-20(15-13-18)29-17-19-6-2-1-3-7-19/h1-15,26H,16-17,25H2
InChIKeyYZLYCPRRCDMCEZ-UHFFFAOYSA-N
XLogP4.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
N-benzylnaphthalene-1-sulfonamide
CID 3844256
5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
CID 69046746
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
N-benzyl-4-hydroxynaphthalene-1-sulfonamide
CID 57096004
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
2-amino-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 61128052
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide (CID 69048106) is 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide is Nc1cccc2c(S(=O)(=O)NCc3ccc(OCc4ccccc4)cc3)cccc12.
What is the InChIKey of 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is YZLYCPRRCDMCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c25-23-10-4-9-22-21(23)8-5-11-24(22)30(27,28)26-16-18-12-14-20(15-13-18)29-17-19-6-2-1-3-7-19/h1-15,26H,16-17,25H2.
What are the key properties of 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide?
5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 69048106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).