3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide

C11H13Cl2NO3S — CID 47206500

IUPAC3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO3S/c1-14-11(15)4-5-18(16,17)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyQSIVTQOJOBMUSJ-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.04
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide

3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide (PubChem CID 47206500) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide
PubChem CID47206500
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO3S/c1-14-11(15)4-5-18(16,17)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyQSIVTQOJOBMUSJ-UHFFFAOYSA-N
XLogP2.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide (CID 47206500) is 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide is CNC(=O)CCS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide?
The InChIKey is QSIVTQOJOBMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-14-11(15)4-5-18(16,17)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide?
3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide has a molecular weight of 310.20 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylsulfonyl]-N-methylpropanamide is sourced from PubChem (CID 47206500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).