N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide

C19H16N2O4S — CID 74014271

IUPACN-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NO
InChIInChI=1S/C19H16N2O4S/c22-19(20-23)12-7-14-5-9-17(10-6-14)21-26(24,25)18-11-8-15-3-1-2-4-16(15)13-18/h1-13,21,23H,(H,20,22)
InChIKeyAUSQXAWPDYLVIT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.16
Rot. Bonds5

About N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide

N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide (PubChem CID 74014271) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
PubChem CID74014271
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NO
InChIInChI=1S/C19H16N2O4S/c22-19(20-23)12-7-14-5-9-17(10-6-14)21-26(24,25)18-11-8-15-3-1-2-4-16(15)13-18/h1-13,21,23H,(H,20,22)
InChIKeyAUSQXAWPDYLVIT-UHFFFAOYSA-N
XLogP3.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.16
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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Related Compounds

(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986777
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide (CID 74014271) is N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide is O=C(C=Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide?
The InChIKey is AUSQXAWPDYLVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(20-23)12-7-14-5-9-17(10-6-14)21-26(24,25)18-11-8-15-3-1-2-4-16(15)13-18/h1-13,21,23H,(H,20,22).
What are the key properties of N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide?
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide has a molecular weight of 368.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 74014271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).