5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide

C13H18ClNO3S — CID 43346625

IUPAC5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCCCCl
InChIInChI=1S/C13H18ClNO3S/c1-10-6-7-11(19(2,17)18)9-12(10)15-13(16)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyCMZAZCFLOLVUIE-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.75
Rot. Bonds6

About 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide

5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide (PubChem CID 43346625) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
PubChem CID43346625
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCCCCl
InChIInChI=1S/C13H18ClNO3S/c1-10-6-7-11(19(2,17)18)9-12(10)15-13(16)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyCMZAZCFLOLVUIE-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide (CID 43346625) is 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
The InChIKey is CMZAZCFLOLVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-6-7-11(19(2,17)18)9-12(10)15-13(16)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide?
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide has a molecular weight of 303.81 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide is sourced from PubChem (CID 43346625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).