2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide

C23H21Cl2FN2O3S — CID 30209855

IUPAC2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c24-18-10-13-22(21(25)15-18)28(32(30,31)20-6-2-1-3-7-20)16-23(29)27-14-4-5-17-8-11-19(26)12-9-17/h1-3,6-13,15H,4-5,14,16H2,(H,27,29)
InChIKeyAERNSMWYOXDMHD-UHFFFAOYSA-N
MW495.40 g/mol
LogP5.08
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide (PubChem CID 30209855) has the molecular formula C23H21Cl2FN2O3S and a molecular weight of 495.40 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
PubChem CID30209855
Molecular FormulaC23H21Cl2FN2O3S
Molecular Weight495.40 g/mol
Exact Mass494.06
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c24-18-10-13-22(21(25)15-18)28(32(30,31)20-6-2-1-3-7-20)16-23(29)27-14-4-5-17-8-11-19(26)12-9-17/h1-3,6-13,15H,4-5,14,16H2,(H,27,29)
InChIKeyAERNSMWYOXDMHD-UHFFFAOYSA-N
XLogP5.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide 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

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30209868
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215711
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 43893372
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30251563
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30207040
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4523459
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(2,6-difluorophenyl)acetamide
CID 126331811
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30206906
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30204334
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide (CID 30209855) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide is O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
The InChIKey is AERNSMWYOXDMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O3S/c24-18-10-13-22(21(25)15-18)28(32(30,31)20-6-2-1-3-7-20)16-23(29)27-14-4-5-17-8-11-19(26)12-9-17/h1-3,6-13,15H,4-5,14,16H2,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide has a molecular weight of 495.40 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 30209855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).