2-(4-chlorophenyl)sulfonyl-N-propylacetamide

C11H14ClNO3S — CID 24654499

IUPAC2-(4-chlorophenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-7-13-11(14)8-17(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyGEDFPOKDTWDEAA-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.64
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-propylacetamide

2-(4-chlorophenyl)sulfonyl-N-propylacetamide (PubChem CID 24654499) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-propylacetamide
PubChem CID24654499
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-7-13-11(14)8-17(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyGEDFPOKDTWDEAA-UHFFFAOYSA-N
XLogP1.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 119630251
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-2-methylbutanoic acid
CID 119199618
2-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450269
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-propylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-propylacetamide (CID 24654499) is 2-(4-chlorophenyl)sulfonyl-N-propylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-propylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-propylacetamide is CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-propylacetamide?
The InChIKey is GEDFPOKDTWDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-2-7-13-11(14)8-17(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-propylacetamide?
2-(4-chlorophenyl)sulfonyl-N-propylacetamide has a molecular weight of 275.76 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-propylacetamide is sourced from PubChem (CID 24654499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).