N-(4-aminophenyl)sulfonyloctadecanamide;titanium

C24H42N2O3STi — CID 87794526

IUPACN-(4-aminophenyl)sulfonyloctadecanamide;titanium
SMILESCCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)c1ccc(N)cc1.[Ti]
InChIInChI=1S/C24H42N2O3S.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-30(28,29)23-20-18-22(25)19-21-23;/h18-21H,2-17,25H2,1H3,(H,26,27);
InChIKeyXUNRUAZKPRRZKI-UHFFFAOYSA-N
MW486.55 g/mol
LogP6.33
Rot. Bonds18

About N-(4-aminophenyl)sulfonyloctadecanamide;titanium

N-(4-aminophenyl)sulfonyloctadecanamide;titanium (PubChem CID 87794526) has the molecular formula C24H42N2O3STi and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonyloctadecanamide;titanium.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonyloctadecanamide;titanium
PubChem CID87794526
Molecular FormulaC24H42N2O3STi
Molecular Weight486.55 g/mol
Exact Mass486.24
IUPAC NameN-(4-aminophenyl)sulfonyloctadecanamide;titanium
SMILESCCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)c1ccc(N)cc1.[Ti]
InChIInChI=1S/C24H42N2O3S.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-30(28,29)23-20-18-22(25)19-21-23;/h18-21H,2-17,25H2,1H3,(H,26,27);
InChIKeyXUNRUAZKPRRZKI-UHFFFAOYSA-N
XLogP6.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)sulfonyloctadecanamide;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide
CID 3112790
disodium;N-(4-aminophenyl)sulfonyloctadecanamide;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid;hydride
CID 173175094
N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium
CID 69295519
N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
CID 142683766
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
CID 110839422
N-(4-nitrophenyl)sulfonylpentanamide
CID 162405454
[2-[(4-aminophenyl)sulfonylamino]-2-oxoethyl]-trimethylazanium chloride
CID 45266164
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonyloctadecanamide;titanium?
The IUPAC name of N-(4-aminophenyl)sulfonyloctadecanamide;titanium (CID 87794526) is N-(4-aminophenyl)sulfonyloctadecanamide;titanium.
What is the SMILES notation for N-(4-aminophenyl)sulfonyloctadecanamide;titanium?
The canonical SMILES for N-(4-aminophenyl)sulfonyloctadecanamide;titanium is CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)c1ccc(N)cc1.[Ti].
What is the InChIKey of N-(4-aminophenyl)sulfonyloctadecanamide;titanium?
The InChIKey is XUNRUAZKPRRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O3S.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-30(28,29)23-20-18-22(25)19-21-23;/h18-21H,2-17,25H2,1H3,(H,26,27);.
What are the key properties of N-(4-aminophenyl)sulfonyloctadecanamide;titanium?
N-(4-aminophenyl)sulfonyloctadecanamide;titanium has a molecular weight of 486.55 g/mol, XLogP of 6.33, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonyloctadecanamide;titanium is sourced from PubChem (CID 87794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).