3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide

C23H19ClN2O3S2 — CID 3312445

IUPAC3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H19ClN2O3S2/c24-21-19-8-4-5-9-20(19)30-22(21)23(27)26-17-10-12-18(13-11-17)31(28,29)25-15-14-16-6-2-1-3-7-16/h1-13,25H,14-15H2,(H,26,27)
InChIKeyVJYNZVQJYOMEGM-UHFFFAOYSA-N
MW471.00 g/mol
LogP5.33
Rot. Bonds7

About 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 3312445) has the molecular formula C23H19ClN2O3S2 and a molecular weight of 471.00 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID3312445
Molecular FormulaC23H19ClN2O3S2
Molecular Weight471.00 g/mol
Exact Mass470.05
IUPAC Name3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C23H19ClN2O3S2/c24-21-19-8-4-5-9-20(19)30-22(21)23(27)26-17-10-12-18(13-11-17)31(28,29)25-15-14-16-6-2-1-3-7-16/h1-13,25H,14-15H2,(H,26,27)
InChIKeyVJYNZVQJYOMEGM-UHFFFAOYSA-N
XLogP5.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3160838
3-chloro-N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 51319186
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
3-chloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55428790
N-(4-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 4083903
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1015028
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
3-chloro-N-[4-(cyanomethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27163426
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 3312445) is 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is VJYNZVQJYOMEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S2/c24-21-19-8-4-5-9-20(19)30-22(21)23(27)26-17-10-12-18(13-11-17)31(28,29)25-15-14-16-6-2-1-3-7-16/h1-13,25H,14-15H2,(H,26,27).
What are the key properties of 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 471.00 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3312445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).