N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide

C18H17FN2O3S2 — CID 18140560

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H17FN2O3S2/c1-21(2)26(23,24)17-6-4-3-5-12(17)11-20-18(22)16-10-13-9-14(19)7-8-15(13)25-16/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyVKWMKXGPYBMBRL-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.22
Rot. Bonds5

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 18140560) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID18140560
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H17FN2O3S2/c1-21(2)26(23,24)17-6-4-3-5-12(17)11-20-18(22)16-10-13-9-14(19)7-8-15(13)25-16/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyVKWMKXGPYBMBRL-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide (CID 18140560) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is VKWMKXGPYBMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-21(2)26(23,24)17-6-4-3-5-12(17)11-20-18(22)16-10-13-9-14(19)7-8-15(13)25-16/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18140560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).