N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide

C11H12ClNO4S — CID 54295056

IUPACN-(5-acetyl-2-chlorophenyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C11H12ClNO4S/c1-3-11(15)13-18(16,17)10-6-8(7(2)14)4-5-9(10)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeySAFFIKFJORAQSP-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.76
Rot. Bonds4

About N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide

N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide (PubChem CID 54295056) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)sulfonylpropanamide
PubChem CID54295056
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC NameN-(5-acetyl-2-chlorophenyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C11H12ClNO4S/c1-3-11(15)13-18(16,17)10-6-8(7(2)14)4-5-9(10)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeySAFFIKFJORAQSP-UHFFFAOYSA-N
XLogP1.76
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-butyl-2-chloro-5-propanoylbenzenesulfonamide
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4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
3-[(2-aminoacetyl)sulfamoyl]-4-chloro-N-(cyclopropylmethyl)benzamide
CID 23501013
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
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4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide
CID 8751734

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide (CID 54295056) is N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1cc(C(C)=O)ccc1Cl.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide?
The InChIKey is SAFFIKFJORAQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c1-3-11(15)13-18(16,17)10-6-8(7(2)14)4-5-9(10)12/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide?
N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide has a molecular weight of 289.74 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 54295056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).