5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide

C19H17NO3S2 — CID 53467494

IUPAC5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide
SMILESCC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C19H17NO3S2/c1-14(21)16-7-9-17(10-8-16)18-11-12-19(24-18)25(22,23)20-13-15-5-3-2-4-6-15/h2-12,20H,13H2,1H3
InChIKeyFHNXFQOBIZTATD-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.10
Rot. Bonds6

About 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide

5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide (PubChem CID 53467494) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide
PubChem CID53467494
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide
SMILESCC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C19H17NO3S2/c1-14(21)16-7-9-17(10-8-16)18-11-12-19(24-18)25(22,23)20-13-15-5-3-2-4-6-15/h2-12,20H,13H2,1H3
InChIKeyFHNXFQOBIZTATD-UHFFFAOYSA-N
XLogP4.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide
CID 170206165
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
3-[[(5-ethylthiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 61454207
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
4-(5-ethylsulfonylthiophen-2-yl)benzoic acid
CID 59264655
N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784
4-(benzylsulfamoyl)benzoate
CID 4743721
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide (CID 53467494) is 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide is CC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)s2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide?
The InChIKey is FHNXFQOBIZTATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-14(21)16-7-9-17(10-8-16)18-11-12-19(24-18)25(22,23)20-13-15-5-3-2-4-6-15/h2-12,20H,13H2,1H3.
What are the key properties of 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide?
5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide has a molecular weight of 371.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide is sourced from PubChem (CID 53467494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).