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

C10H12ClNO3S — CID 47162178

IUPAC2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3S/c1-12-10(13)7-16(14,15)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyKYZDSMFBFZENGX-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.00
Rot. Bonds4

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

2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide (PubChem CID 47162178) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
PubChem CID47162178
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3S/c1-12-10(13)7-16(14,15)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyKYZDSMFBFZENGX-UHFFFAOYSA-N
XLogP1.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(3-chlorophenyl)methylsulfonyl]acetamide
CID 47155845
2-[(2-amino-4-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 114231798
2-[S-[(3-chlorophenyl)methyl]-N-methylsulfonimidoyl]acetic acid
CID 112540592
3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 4139238
2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
CID 55703716
2-[3-[(3-chlorophenyl)methylsulfonyl]propanoylamino]ethyl-dimethylazanium
CID 4139237
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 20911196
N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
CID 4139316
2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide
CID 143657738
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide (CID 47162178) is 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide is CNC(=O)CS(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide?
The InChIKey is KYZDSMFBFZENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-12-10(13)7-16(14,15)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide?
2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide has a molecular weight of 261.73 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide is sourced from PubChem (CID 47162178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).