N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide

C21H16N2O4S — CID 4146

IUPACN-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)NO
InChIInChI=1S/C21H16N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-7,9-14,23,25H,(H,22,24)
InChIKeyFAUUHDAGCVNTFW-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.01
Rot. Bonds4

About N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide

N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide (PubChem CID 4146) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
PubChem CID4146
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC NameN-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)NO
InChIInChI=1S/C21H16N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-7,9-14,23,25H,(H,22,24)
InChIKeyFAUUHDAGCVNTFW-UHFFFAOYSA-N
XLogP3.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
CID 10972684
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 1472868
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-[2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 11540637
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
The IUPAC name of N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide (CID 4146) is N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide.
What is the SMILES notation for N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
The canonical SMILES for N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide is O=C(C#Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
The InChIKey is FAUUHDAGCVNTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-7,9-14,23,25H,(H,22,24).
What are the key properties of N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide?
N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide has a molecular weight of 392.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide is sourced from PubChem (CID 4146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).