2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide

C24H24ClFN2O3S — CID 30251563

IUPAC2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClFN2O3S/c1-18-4-12-22(13-5-18)28(32(30,31)23-14-8-20(25)9-15-23)17-24(29)27-16-2-3-19-6-10-21(26)11-7-19/h4-15H,2-3,16-17H2,1H3,(H,27,29)
InChIKeyHHGVFFJCCCCOSL-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.73
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (PubChem CID 30251563) has the molecular formula C24H24ClFN2O3S and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
PubChem CID30251563
Molecular FormulaC24H24ClFN2O3S
Molecular Weight474.99 g/mol
Exact Mass474.12
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClFN2O3S/c1-18-4-12-22(13-5-18)28(32(30,31)23-14-8-20(25)9-15-23)17-24(29)27-16-2-3-19-6-10-21(26)11-7-19/h4-15H,2-3,16-17H2,1H3,(H,27,29)
InChIKeyHHGVFFJCCCCOSL-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30214045
N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215711
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30214103
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227497
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30228923
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 43896909
N-butyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132747891
N-(3-ethoxypropyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152032
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244396
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 43898830

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (CID 30251563) is 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is Cc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The InChIKey is HHGVFFJCCCCOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O3S/c1-18-4-12-22(13-5-18)28(32(30,31)23-14-8-20(25)9-15-23)17-24(29)27-16-2-3-19-6-10-21(26)11-7-19/h4-15H,2-3,16-17H2,1H3,(H,27,29).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide has a molecular weight of 474.99 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 30251563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).