3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide

C11H14ClNO3S — CID 47206697

IUPAC3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-13-11(14)6-7-17(15,16)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyLADNBOAPHAKASS-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.39
Rot. Bonds5

About 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide

3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide (PubChem CID 47206697) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
PubChem CID47206697
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-13-11(14)6-7-17(15,16)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyLADNBOAPHAKASS-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-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
3-[(3-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 5068934
N-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 20968320
(2E)-N-(1,1-dioxothiolan-3-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 5334713
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
2-[(2,6-dichlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 2467184
3-[(4-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 4613734
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)-N-methylacetamide
CID 53324069
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 2804916

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide (CID 47206697) is 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide is CNC(=O)CCS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
The InChIKey is LADNBOAPHAKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-13-11(14)6-7-17(15,16)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of 3-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide?
3-[(2-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-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide is sourced from PubChem (CID 47206697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).