2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide

C35H48N2O6S — CID 19742627

IUPAC2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide
SMILESCCCCCCCCCCC(Oc1ccccc1S(=O)(=O)c1ccc(O)cc1)C(=O)NNc1ccc(OCCCCC)cc1
InChIInChI=1S/C35H48N2O6S/c1-3-5-7-8-9-10-11-12-17-33(35(39)37-36-28-19-23-30(24-20-28)42-27-15-6-4-2)43-32-16-13-14-18-34(32)44(40,41)31-25-21-29(38)22-26-31/h13-14,16,18-26,33,36,38H,3-12,15,17,27H2,1-2H3,(H,37,39)
InChIKeyAIGKYSBLNSARLB-UHFFFAOYSA-N
MW624.84 g/mol
LogP8.22
Rot. Bonds21

About 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide

2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide (PubChem CID 19742627) has the molecular formula C35H48N2O6S and a molecular weight of 624.84 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide
PubChem CID19742627
Molecular FormulaC35H48N2O6S
Molecular Weight624.84 g/mol
Exact Mass624.32
IUPAC Name2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide
SMILESCCCCCCCCCCC(Oc1ccccc1S(=O)(=O)c1ccc(O)cc1)C(=O)NNc1ccc(OCCCCC)cc1
InChIInChI=1S/C35H48N2O6S/c1-3-5-7-8-9-10-11-12-17-33(35(39)37-36-28-19-23-30(24-20-28)42-27-15-6-4-2)43-32-16-13-14-18-34(32)44(40,41)31-25-21-29(38)22-26-31/h13-14,16,18-26,33,36,38H,3-12,15,17,27H2,1-2H3,(H,37,39)
InChIKeyAIGKYSBLNSARLB-UHFFFAOYSA-N
XLogP8.22
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.84
LogP ≤ 58.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pentoxyphenyl)sulfonylphenol
CID 101144520
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
4-[4-[7-[4-(4-ethoxyphenyl)sulfonylphenoxy]heptoxy]phenyl]sulfonylphenol
CID 139963527
1-(2,2-dimethylpropoxy)-2-[4-[6-[4-[2-(2,2-dimethylpropoxy)phenyl]sulfonylphenoxy]hexoxy]phenyl]sulfonylbenzene
CID 139826939
4-(4-tetradecoxyanilino)phenol
CID 174780996
2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]dodecanoyl chloride
CID 4111218
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
4-octadecoxyphenol
CID 22179059
4-[4-[1-(4-propylanilino)dodecan-2-yloxy]phenyl]sulfonylphenol
CID 54217598
4-[2-(2-ethoxy-1-hydroxyethoxy)phenyl]sulfonylphenol
CID 91804797
1-hexoxy-4-[4-[1-[4-(4-hexoxyphenyl)sulfonylphenoxy]ethoxy]phenyl]sulfonylbenzene
CID 139826928
4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 67163625

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide (CID 19742627) is 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide is CCCCCCCCCCC(Oc1ccccc1S(=O)(=O)c1ccc(O)cc1)C(=O)NNc1ccc(OCCCCC)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide?
The InChIKey is AIGKYSBLNSARLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2O6S/c1-3-5-7-8-9-10-11-12-17-33(35(39)37-36-28-19-23-30(24-20-28)42-27-15-6-4-2)43-32-16-13-14-18-34(32)44(40,41)31-25-21-29(38)22-26-31/h13-14,16,18-26,33,36,38H,3-12,15,17,27H2,1-2H3,(H,37,39).
What are the key properties of 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide?
2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide has a molecular weight of 624.84 g/mol, XLogP of 8.22, 21 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide is sourced from PubChem (CID 19742627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).