3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide

C13H11Cl2NO3S2 — CID 1480291

IUPAC3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1S(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO3S2/c1-16-13(17)12-11(5-6-20-12)21(18,19)7-8-9(14)3-2-4-10(8)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyYWYFAZSQPIENFY-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.39
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide

3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide (PubChem CID 1480291) has the molecular formula C13H11Cl2NO3S2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide
PubChem CID1480291
Molecular FormulaC13H11Cl2NO3S2
Molecular Weight364.28 g/mol
Exact Mass362.96
IUPAC Name3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1S(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO3S2/c1-16-13(17)12-11(5-6-20-12)21(18,19)7-8-9(14)3-2-4-10(8)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyYWYFAZSQPIENFY-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide (CID 1480291) is 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide is CNC(=O)c1sccc1S(=O)(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide?
The InChIKey is YWYFAZSQPIENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S2/c1-16-13(17)12-11(5-6-20-12)21(18,19)7-8-9(14)3-2-4-10(8)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide?
3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 1480291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).