N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide

C17H20N2O4S — CID 87748545

IUPACN-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-3-13-6-10-16(11-7-13)24(22,23)18-12-14-4-8-15(9-5-14)17(20)19-21/h4-11,18,21H,2-3,12H2,1H3,(H,19,20)
InChIKeyITSPXYUVXLURGE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.24
Rot. Bonds7

About N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide

N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide (PubChem CID 87748545) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
PubChem CID87748545
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-3-13-6-10-16(11-7-13)24(22,23)18-12-14-4-8-15(9-5-14)17(20)19-21/h4-11,18,21H,2-3,12H2,1H3,(H,19,20)
InChIKeyITSPXYUVXLURGE-UHFFFAOYSA-N
XLogP2.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.24
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'}

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Related Compounds

N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
CID 55904950
4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 52708157
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
CID 17439202
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide (CID 87748545) is N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide is CCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is ITSPXYUVXLURGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-3-13-6-10-16(11-7-13)24(22,23)18-12-14-4-8-15(9-5-14)17(20)19-21/h4-11,18,21H,2-3,12H2,1H3,(H,19,20).
What are the key properties of N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide?
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 87748545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).