N-dodecyl-6-hydroxynaphthalene-2-sulfonamide

C22H33NO3S — CID 71346351

IUPACN-dodecyl-6-hydroxynaphthalene-2-sulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C22H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-16-23-27(25,26)22-15-13-19-17-21(24)14-12-20(19)18-22/h12-15,17-18,23-24H,2-11,16H2,1H3
InChIKeyLNZAEFRAJROFGR-UHFFFAOYSA-N
MW391.58 g/mol
LogP5.74
Rot. Bonds13

About N-dodecyl-6-hydroxynaphthalene-2-sulfonamide

N-dodecyl-6-hydroxynaphthalene-2-sulfonamide (PubChem CID 71346351) has the molecular formula C22H33NO3S and a molecular weight of 391.58 g/mol. Its IUPAC name is N-dodecyl-6-hydroxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-dodecyl-6-hydroxynaphthalene-2-sulfonamide
PubChem CID71346351
Molecular FormulaC22H33NO3S
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC NameN-dodecyl-6-hydroxynaphthalene-2-sulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C22H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-16-23-27(25,26)22-15-13-19-17-21(24)14-12-20(19)18-22/h12-15,17-18,23-24H,2-11,16H2,1H3
InChIKeyLNZAEFRAJROFGR-UHFFFAOYSA-N
XLogP5.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-nonylnaphthalene-2-sulfonamide
CID 19681387
hexadecyl-dimethyl-[3-(naphthalen-2-ylsulfonylamino)propyl]azanium
CID 171341490
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
9-hydroxyimino-2-N,7-N-dioctadecylfluorene-2,7-disulfonamide
CID 21238299
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-tridecylbenzenesulfonamide
CID 3514704
N-decyl-9,10-dioxoanthracene-2-sulfonamide
CID 18592937
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-6-hydroxynaphthalene-2-sulfonamide?
The IUPAC name of N-dodecyl-6-hydroxynaphthalene-2-sulfonamide (CID 71346351) is N-dodecyl-6-hydroxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-dodecyl-6-hydroxynaphthalene-2-sulfonamide?
The canonical SMILES for N-dodecyl-6-hydroxynaphthalene-2-sulfonamide is CCCCCCCCCCCCNS(=O)(=O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of N-dodecyl-6-hydroxynaphthalene-2-sulfonamide?
The InChIKey is LNZAEFRAJROFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-16-23-27(25,26)22-15-13-19-17-21(24)14-12-20(19)18-22/h12-15,17-18,23-24H,2-11,16H2,1H3.
What are the key properties of N-dodecyl-6-hydroxynaphthalene-2-sulfonamide?
N-dodecyl-6-hydroxynaphthalene-2-sulfonamide has a molecular weight of 391.58 g/mol, XLogP of 5.74, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-6-hydroxynaphthalene-2-sulfonamide is sourced from PubChem (CID 71346351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).