N-(5-chloro-2-methylsulfonylphenyl)acetamide

C9H10ClNO3S — CID 67747671

IUPACN-(5-chloro-2-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1S(C)(=O)=O
InChIInChI=1S/C9H10ClNO3S/c1-6(12)11-8-5-7(10)3-4-9(8)15(2,13)14/h3-5H,1-2H3,(H,11,12)
InChIKeyOLSGABNYWXLYGF-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.70
Rot. Bonds2

About N-(5-chloro-2-methylsulfonylphenyl)acetamide

N-(5-chloro-2-methylsulfonylphenyl)acetamide (PubChem CID 67747671) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is N-(5-chloro-2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylsulfonylphenyl)acetamide
PubChem CID67747671
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC NameN-(5-chloro-2-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1S(C)(=O)=O
InChIInChI=1S/C9H10ClNO3S/c1-6(12)11-8-5-7(10)3-4-9(8)15(2,13)14/h3-5H,1-2H3,(H,11,12)
InChIKeyOLSGABNYWXLYGF-UHFFFAOYSA-N
XLogP1.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-methylsulfonylbenzoate
CID 66877882
N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
CID 18082595
N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
4-chloro-2-methylsulfonylphenol
CID 130032505
N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 67972113
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
1-[3-[2-(4-chlorophenyl)ethylamino]-4-methylsulfonylphenyl]ethanone
CID 133462762
2-(5-chloro-2-methylsulfonylphenyl)propanoic acid
CID 117411443

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(5-chloro-2-methylsulfonylphenyl)acetamide (CID 67747671) is N-(5-chloro-2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylsulfonylphenyl)acetamide is CC(=O)Nc1cc(Cl)ccc1S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methylsulfonylphenyl)acetamide?
The InChIKey is OLSGABNYWXLYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-6(12)11-8-5-7(10)3-4-9(8)15(2,13)14/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-(5-chloro-2-methylsulfonylphenyl)acetamide?
N-(5-chloro-2-methylsulfonylphenyl)acetamide has a molecular weight of 247.70 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 67747671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).