2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide

C13H16ClNO3S — CID 47206565

IUPAC2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3S/c1-9(13(16)15-12-5-6-12)19(17,18)8-10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H,15,16)
InChIKeyAOBSNGLGUGYTFY-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.92
Rot. Bonds5

About 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide

2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide (PubChem CID 47206565) has the molecular formula C13H16ClNO3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
PubChem CID47206565
Molecular FormulaC13H16ClNO3S
Molecular Weight301.80 g/mol
Exact Mass301.05
IUPAC Name2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3S/c1-9(13(16)15-12-5-6-12)19(17,18)8-10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H,15,16)
InChIKeyAOBSNGLGUGYTFY-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 51946867
2-[(3-chlorophenyl)methylsulfonyl]-N-propylpropanamide
CID 47155844
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 42961403
(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599447
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 92641774
(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
CID 51727076

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide (CID 47206565) is 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)S(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide?
The InChIKey is AOBSNGLGUGYTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-9(13(16)15-12-5-6-12)19(17,18)8-10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide?
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide has a molecular weight of 301.80 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 47206565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).