2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide

C11H14ClNO3S — CID 17225149

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-13-11(14)8-17(15,16)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyLBDNJXMJGPOGTC-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.39
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide (PubChem CID 17225149) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
PubChem CID17225149
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-13-11(14)8-17(15,16)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyLBDNJXMJGPOGTC-UHFFFAOYSA-N
XLogP1.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide
CID 17225153
N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207530
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
CID 17225150
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221
2-benzylsulfonyl-N-propylacetamide
CID 47155800
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide
CID 142167262
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylethanamine
CID 114791989

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide (CID 17225149) is 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide is CCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide?
The InChIKey is LBDNJXMJGPOGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-2-13-11(14)8-17(15,16)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide has a molecular weight of 275.76 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide is sourced from PubChem (CID 17225149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).