2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide

C22H26ClFN2O4S — CID 30253559

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
SMILESO=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCCOC1CCCC1
InChIInChI=1S/C22H26ClFN2O4S/c23-20-15-17(11-12-21(20)24)26(31(28,29)19-9-2-1-3-10-19)16-22(27)25-13-6-14-30-18-7-4-5-8-18/h1-3,9-12,15,18H,4-8,13-14,16H2,(H,25,27)
InChIKeyWLHQNOATQWEMOA-UHFFFAOYSA-N
MW468.98 g/mol
LogP4.14
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide (PubChem CID 30253559) has the molecular formula C22H26ClFN2O4S and a molecular weight of 468.98 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
PubChem CID30253559
Molecular FormulaC22H26ClFN2O4S
Molecular Weight468.98 g/mol
Exact Mass468.13
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
SMILESO=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCCOC1CCCC1
InChIInChI=1S/C22H26ClFN2O4S/c23-20-15-17(11-12-21(20)24)26(31(28,29)19-9-2-1-3-10-19)16-22(27)25-13-6-14-30-18-7-4-5-8-18/h1-3,9-12,15,18H,4-8,13-14,16H2,(H,25,27)
InChIKeyWLHQNOATQWEMOA-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.98
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047
2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249072
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30207049
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30207045
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227480
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30213587
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 43899247
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30215284

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide (CID 30253559) is 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide is O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCCOC1CCCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide?
The InChIKey is WLHQNOATQWEMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O4S/c23-20-15-17(11-12-21(20)24)26(31(28,29)19-9-2-1-3-10-19)16-22(27)25-13-6-14-30-18-7-4-5-8-18/h1-3,9-12,15,18H,4-8,13-14,16H2,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide has a molecular weight of 468.98 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide is sourced from PubChem (CID 30253559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).