2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide

C23H32Cl2N2O2S — CID 23227875

IUPAC2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide
SMILESCCCCCCCCCCCCc1ccc(S(N)(=O)=O)c(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C23H32Cl2N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-22(30(26,28)29)20(15-18)23-21(25)16-19(24)17-27-23/h13-17H,2-12H2,1H3,(H2,26,28,29)
InChIKeyHNTBFTFHXNZYIK-UHFFFAOYSA-N
MW471.49 g/mol
LogP7.17
Rot. Bonds13

About 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide

2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide (PubChem CID 23227875) has the molecular formula C23H32Cl2N2O2S and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide
PubChem CID23227875
Molecular FormulaC23H32Cl2N2O2S
Molecular Weight471.49 g/mol
Exact Mass470.16
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide
SMILESCCCCCCCCCCCCc1ccc(S(N)(=O)=O)c(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C23H32Cl2N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-22(30(26,28)29)20(15-18)23-21(25)16-19(24)17-27-23/h13-17H,2-12H2,1H3,(H2,26,28,29)
InChIKeyHNTBFTFHXNZYIK-UHFFFAOYSA-N
XLogP7.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide 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

4-nonylbenzenesulfonamide
CID 19845394
2-chloro-4-heptylaniline
CID 21161447
2-octylanthracene-9,10-dione
CID 141254876
2-fluoro-4-pentadecylbenzenesulfonic acid
CID 87359699
3,9-dihexyl-12,14-dihydropentacene-5,7-dione
CID 23586534
5-hexadecyl-1H-indole-2-sulfonamide
CID 70401330
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-pentadecylpyridine
CID 174517606
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
3-chloro-5-octylpyridine
CID 138579116
3-chloro-5-pentylpyridine
CID 59945518
1-chloro-3-octylbenzene
CID 11458768

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide (CID 23227875) is 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide is CCCCCCCCCCCCc1ccc(S(N)(=O)=O)c(-c2ncc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide?
The InChIKey is HNTBFTFHXNZYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32Cl2N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-22(30(26,28)29)20(15-18)23-21(25)16-19(24)17-27-23/h13-17H,2-12H2,1H3,(H2,26,28,29).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide?
2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide has a molecular weight of 471.49 g/mol, XLogP of 7.17, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-4-dodecylbenzenesulfonamide is sourced from PubChem (CID 23227875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).