N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide

C20H15NO4S — CID 59485442

IUPACN-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide
SMILESO=C1OC(c2ccccc2NS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO4S/c22-20-16-11-5-4-10-15(16)19(25-20)17-12-6-7-13-18(17)21-26(23,24)14-8-2-1-3-9-14/h1-13,19,21H
InChIKeyKQEXTDPBYYBXDQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.75
Rot. Bonds4

About N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide

N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide (PubChem CID 59485442) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide
PubChem CID59485442
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC NameN-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide
SMILESO=C1OC(c2ccccc2NS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO4S/c22-20-16-11-5-4-10-15(16)19(25-20)17-12-6-7-13-18(17)21-26(23,24)14-8-2-1-3-9-14/h1-13,19,21H
InChIKeyKQEXTDPBYYBXDQ-UHFFFAOYSA-N
XLogP3.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626836
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
CID 172855166
CID 172855166
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713456
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 90626948

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide (CID 59485442) is N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide is O=C1OC(c2ccccc2NS(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide?
The InChIKey is KQEXTDPBYYBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c22-20-16-11-5-4-10-15(16)19(25-20)17-12-6-7-13-18(17)21-26(23,24)14-8-2-1-3-9-14/h1-13,19,21H.
What are the key properties of N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide?
N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide has a molecular weight of 365.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59485442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).