N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide

C10H13NO4S — CID 167574068

IUPACN-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NO)cc1
InChIInChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(14,15)7-6-10(12)11-13/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKeyGHDMHUDRKGAQPK-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.66
Rot. Bonds4

About N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide

N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 167574068) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID167574068
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NO)cc1
InChIInChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(14,15)7-6-10(12)11-13/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKeyGHDMHUDRKGAQPK-UHFFFAOYSA-N
XLogP0.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
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

4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
1-chloro-4-(4-methylphenyl)sulfonylbutan-2-one
CID 134085990
3-[4-(4-methylphenyl)phenyl]sulfonylpropanoyl chloride
CID 58392608
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
1-amino-4-(4-methylphenyl)sulfonylbutan-2-one;hydrochloride
CID 83967479
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
3-[2,2-bis[[3-(hydroxyamino)-3-oxopropoxy]methyl]-3-(4-methylphenyl)sulfonylpropoxy]-N-hydroxypropanamide
CID 58340322
N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55726790
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 42109664

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide (CID 167574068) is N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is GHDMHUDRKGAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(14,15)7-6-10(12)11-13/h2-5,13H,6-7H2,1H3,(H,11,12).
What are the key properties of N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 243.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 167574068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).