6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide

C16H12Cl2N2O3S2 — CID 59335148

IUPAC6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1csc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12
InChIInChI=1S/C16H12Cl2N2O3S2/c1-19-16(21)14-8-24-15-7-11(2-3-13(14)15)20-25(22,23)12-5-9(17)4-10(18)6-12/h2-8,20H,1H3,(H,19,21)
InChIKeyVSYPJEPLHOEHCL-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.37
Rot. Bonds4

About 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide

6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide (PubChem CID 59335148) has the molecular formula C16H12Cl2N2O3S2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide
PubChem CID59335148
Molecular FormulaC16H12Cl2N2O3S2
Molecular Weight415.32 g/mol
Exact Mass413.97
IUPAC Name6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1csc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12
InChIInChI=1S/C16H12Cl2N2O3S2/c1-19-16(21)14-8-24-15-7-11(2-3-13(14)15)20-25(22,23)12-5-9(17)4-10(18)6-12/h2-8,20H,1H3,(H,19,21)
InChIKeyVSYPJEPLHOEHCL-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide (CID 59335148) is 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide is CNC(=O)c1csc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12.
What is the InChIKey of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is VSYPJEPLHOEHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3S2/c1-19-16(21)14-8-24-15-7-11(2-3-13(14)15)20-25(22,23)12-5-9(17)4-10(18)6-12/h2-8,20H,1H3,(H,19,21).
What are the key properties of 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide?
6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dichlorophenyl)sulfonylamino]-N-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59335148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).