2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide

C25H20N2O4S — CID 3900171

IUPAC2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H20N2O4S/c28-25(26-19-15-17-21(18-16-19)31-20-9-3-1-4-10-20)23-13-7-8-14-24(23)27-32(29,30)22-11-5-2-6-12-22/h1-18,27H,(H,26,28)
InChIKeyIYOONMUQXXGBFU-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.53
Rot. Bonds7

About 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide

2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide (PubChem CID 3900171) has the molecular formula C25H20N2O4S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
PubChem CID3900171
Molecular FormulaC25H20N2O4S
Molecular Weight444.51 g/mol
Exact Mass444.11
IUPAC Name2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H20N2O4S/c28-25(26-19-15-17-21(18-16-19)31-20-9-3-1-4-10-20)23-13-7-8-14-24(23)27-32(29,30)22-11-5-2-6-12-22/h1-18,27H,(H,26,28)
InChIKeyIYOONMUQXXGBFU-UHFFFAOYSA-N
XLogP5.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
CID 30286393
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide (CID 3900171) is 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is IYOONMUQXXGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4S/c28-25(26-19-15-17-21(18-16-19)31-20-9-3-1-4-10-20)23-13-7-8-14-24(23)27-32(29,30)22-11-5-2-6-12-22/h1-18,27H,(H,26,28).
What are the key properties of 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide?
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 444.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 3900171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).