N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

C15H14N2O4S — CID 53437714

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IUPACN-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO
InChIInChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)
InChIKeyNCNRHFGMJRPRSK-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.01
Rot. Bonds5

About N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 53437714) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
PubChem CID53437714
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO
InChIInChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)
InChIKeyNCNRHFGMJRPRSK-UHFFFAOYSA-N
XLogP2.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.01
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 N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide (CID 53437714) is N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide is O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO.
What is the InChIKey of N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is NCNRHFGMJRPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18).
What are the key properties of N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 318.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 53437714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).