2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide

C11H15ClN2O3S — CID 50946272

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-7-4-5-9(6-10(7)12)14(18(3,16)17)8(2)11(13)15/h4-6,8H,1-3H3,(H2,13,15)
InChIKeyHLDBZLCEQJBYPE-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.29
Rot. Bonds4

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 50946272) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID50946272
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-7-4-5-9(6-10(7)12)14(18(3,16)17)8(2)11(13)15/h4-6,8H,1-3H3,(H2,13,15)
InChIKeyHLDBZLCEQJBYPE-UHFFFAOYSA-N
XLogP1.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
CID 7393668
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
CID 41466614
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 132663359
(2R)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 125044115
methyl 3-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanoylamino]-4-methylbenzoate
CID 132671666
(2R)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 125054881
(2S)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100517542
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132667602
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
CID 132671098
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875
2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2888930

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide (CID 50946272) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is HLDBZLCEQJBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-7-4-5-9(6-10(7)12)14(18(3,16)17)8(2)11(13)15/h4-6,8H,1-3H3,(H2,13,15).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 290.77 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 50946272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).