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

C16H16N2O5S — CID 86591900

IUPACN-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1cccc(NS(=O)(=O)c2cccc(C=CC(=O)NO)c2)c1
InChIInChI=1S/C16H16N2O5S/c1-23-14-6-3-5-13(11-14)18-24(21,22)15-7-2-4-12(10-15)8-9-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)
InChIKeyLFJZWKWWAXYUAR-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.01
Rot. Bonds6

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

N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 86591900) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID86591900
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1cccc(NS(=O)(=O)c2cccc(C=CC(=O)NO)c2)c1
InChIInChI=1S/C16H16N2O5S/c1-23-14-6-3-5-13(11-14)18-24(21,22)15-7-2-4-12(10-15)8-9-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)
InChIKeyLFJZWKWWAXYUAR-UHFFFAOYSA-N
XLogP2.01
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

methyl (E)-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 20780474
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
CID 174203715
methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019528
3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019506
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 3548859
methyl 3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019511
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
(E)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
CID 74014271

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 86591900) is N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1cccc(NS(=O)(=O)c2cccc(C=CC(=O)NO)c2)c1.
What is the InChIKey of N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is LFJZWKWWAXYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-14-6-3-5-13(11-14)18-24(21,22)15-7-2-4-12(10-15)8-9-16(19)17-20/h2-11,18,20H,1H3,(H,17,19).
What are the key properties of N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 348.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 86591900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).