N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide

C26H42N2O3S — CID 54275719

IUPACN-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2ccc(O)c(N)c12
InChIInChI=1S/C26H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-32(30,31)28-23-18-16-17-22-19-20-24(29)26(27)25(22)23/h16-20,28-29H,2-15,21,27H2,1H3
InChIKeyRNGSDWCHDYLPQX-UHFFFAOYSA-N
MW462.70 g/mol
LogP7.35
Rot. Bonds17

About N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide

N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide (PubChem CID 54275719) has the molecular formula C26H42N2O3S and a molecular weight of 462.70 g/mol. Its IUPAC name is N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide
PubChem CID54275719
Molecular FormulaC26H42N2O3S
Molecular Weight462.70 g/mol
Exact Mass462.29
IUPAC NameN-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2ccc(O)c(N)c12
InChIInChI=1S/C26H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-32(30,31)28-23-18-16-17-22-19-20-24(29)26(27)25(22)23/h16-20,28-29H,2-15,21,27H2,1H3
InChIKeyRNGSDWCHDYLPQX-UHFFFAOYSA-N
XLogP7.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.70
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
8-(propylsulfonylamino)naphthalene-1-carboxylic acid
CID 71683584
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(3-acetyl-2-bromophenyl)hexadecane-1-sulfonamide
CID 70579694
N-(3-chloro-2-hydroxyphenyl)butane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)octane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)propane-2-sulfonamide
CID 158915765
2-(butylsulfonylamino)benzamide
CID 17376030
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
methyl 3-[2-(butylsulfonylamino)-6-hydroxyphenyl]propanoate
CID 174360458
N-quinolin-2-ylpentane-1-sulfonamide
CID 174846518
N-(2,5-dihydroxyphenyl)-3-(hexadecylsulfonylamino)benzamide
CID 19763169

Frequently Asked Questions

What is the IUPAC name of N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide?
The IUPAC name of N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide (CID 54275719) is N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide.
What is the SMILES notation for N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide?
The canonical SMILES for N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2ccc(O)c(N)c12.
What is the InChIKey of N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide?
The InChIKey is RNGSDWCHDYLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-32(30,31)28-23-18-16-17-22-19-20-24(29)26(27)25(22)23/h16-20,28-29H,2-15,21,27H2,1H3.
What are the key properties of N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide?
N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide has a molecular weight of 462.70 g/mol, XLogP of 7.35, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide is sourced from PubChem (CID 54275719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).