(E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide

C21H18N2O4S — CID 10157466

IUPAC(E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1)NO
InChIInChI=1S/C21H18N2O4S/c24-21(22-25)14-9-16-5-4-8-20(15-16)28(26,27)23-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15,23,25H,(H,22,24)/b14-9+
InChIKeyDCJZGYJPWDRPEM-NTEUORMPSA-N
MW394.45 g/mol
LogP3.67
Rot. Bonds6

About (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 10157466) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID10157466
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name(E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1)NO
InChIInChI=1S/C21H18N2O4S/c24-21(22-25)14-9-16-5-4-8-20(15-16)28(26,27)23-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15,23,25H,(H,22,24)/b14-9+
InChIKeyDCJZGYJPWDRPEM-NTEUORMPSA-N
XLogP3.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 10157466) is (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is DCJZGYJPWDRPEM-NTEUORMPSA-N. The full InChI is InChI=1S/C21H18N2O4S/c24-21(22-25)14-9-16-5-4-8-20(15-16)28(26,27)23-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15,23,25H,(H,22,24)/b14-9+.
What are the key properties of (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 394.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 10157466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).