2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide

C17H24ClNO4S — CID 34452142

IUPAC2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCCOC1CCCCC1
InChIInChI=1S/C17H24ClNO4S/c18-14-7-9-16(10-8-14)24(21,22)13-17(20)19-11-4-12-23-15-5-2-1-3-6-15/h7-10,15H,1-6,11-13H2,(H,19,20)
InChIKeyLBCRWQIDHWNPRR-UHFFFAOYSA-N
MW373.90 g/mol
LogP2.97
Rot. Bonds8

About 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide

2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 34452142) has the molecular formula C17H24ClNO4S and a molecular weight of 373.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID34452142
Molecular FormulaC17H24ClNO4S
Molecular Weight373.90 g/mol
Exact Mass373.11
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCCOC1CCCCC1
InChIInChI=1S/C17H24ClNO4S/c18-14-7-9-16(10-8-14)24(21,22)13-17(20)19-11-4-12-23-15-5-2-1-3-6-15/h7-10,15H,1-6,11-13H2,(H,19,20)
InChIKeyLBCRWQIDHWNPRR-UHFFFAOYSA-N
XLogP2.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 52.97
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

4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 42936696
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 100675858
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30207045

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide (CID 34452142) is 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCCOC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is LBCRWQIDHWNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4S/c18-14-7-9-16(10-8-14)24(21,22)13-17(20)19-11-4-12-23-15-5-2-1-3-6-15/h7-10,15H,1-6,11-13H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide?
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 373.90 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 34452142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).