3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide

C11H14ClNO3S — CID 5058065

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-13-11(14)6-7-17(15,16)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyIJPZGWYDPZTGHF-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.39
Rot. Bonds5

About 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide

3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide (PubChem CID 5058065) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide
PubChem CID5058065
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-13-11(14)6-7-17(15,16)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyIJPZGWYDPZTGHF-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

(2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-2-propenamide
CID 5756571
3-[(3-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 5068934
2-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 6459138
2-((Bis(4-chlorophenyl)methyl)thio)-N-methylacetamide
CID 76314641
Acetamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049612
Propanamide, 2-(((4-chlorophenyl)methyl)sulfinyl)-N-hydroxy-
CID 3049619
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
3-[(4-Chlorobenzyl)sulfonyl]-4,6-dimethyl-2-pyridinol
CID 1488734
3-[(4-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 4613734
N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorobenzyl)sulfonyl]propanamide
CID 5177075
3-[(4-chlorobenzyl)thio]-N-(2-cyclohex-1-en-1-ylethyl)propanamide
CID 5179418

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide (CID 5058065) is 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide is CNC(=O)CCS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The InChIKey is IJPZGWYDPZTGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-13-11(14)6-7-17(15,16)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide 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 3-[(4-chlorophenyl)methylsulfonyl]-N-methylpropanamide is sourced from PubChem (CID 5058065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).