N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide

C16H14N2O5S — CID 1204991

IUPACN-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)cc1
InChIInChI=1S/C16H14N2O5S/c1-10(19)17-12-4-6-14(7-5-12)24(21,22)18-13-3-2-11-9-23-16(20)15(11)8-13/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyOYDQIDKLCFZRLT-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.12
Rot. Bonds4

About N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide

N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1204991) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide
PubChem CID1204991
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)cc1
InChIInChI=1S/C16H14N2O5S/c1-10(19)17-12-4-6-14(7-5-12)24(21,22)18-13-3-2-11-9-23-16(20)15(11)8-13/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyOYDQIDKLCFZRLT-UHFFFAOYSA-N
XLogP2.12
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide (CID 1204991) is N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)cc1.
What is the InChIKey of N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is OYDQIDKLCFZRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-10(19)17-12-4-6-14(7-5-12)24(21,22)18-13-3-2-11-9-23-16(20)15(11)8-13/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 346.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-oxo-1H-2-benzofuran-5-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1204991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).