N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide

C12H16ClNO3S — CID 47207514

IUPACN-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H16ClNO3S/c1-3-7-18(16,17)8-12(15)14-11-6-4-5-10(13)9(11)2/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyURBCMRUCXYUFTK-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.41
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide

N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide (PubChem CID 47207514) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
PubChem CID47207514
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H16ClNO3S/c1-3-7-18(16,17)8-12(15)14-11-6-4-5-10(13)9(11)2/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyURBCMRUCXYUFTK-UHFFFAOYSA-N
XLogP2.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-nitrophenyl)-2-propylsulfonylacetamide
CID 47379973
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
CID 112997974
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide (CID 47207514) is N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide?
The InChIKey is URBCMRUCXYUFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-3-7-18(16,17)8-12(15)14-11-6-4-5-10(13)9(11)2/h4-6H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide?
N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide has a molecular weight of 289.78 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide is sourced from PubChem (CID 47207514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).