N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide

C11H16N2O5S — CID 11687862

IUPACN,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)O)cc1
InChIInChI=1S/C11H16N2O5S/c1-7-3-5-9(6-4-7)19(17,18)13-10(8(2)14)11(15)12-16/h3-6,8,10,13-14,16H,1-2H3,(H,12,15)
InChIKeyIMUDXAMRAODXKV-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.47
Rot. Bonds5

About N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide

N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 11687862) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID11687862
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC NameN,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)O)cc1
InChIInChI=1S/C11H16N2O5S/c1-7-3-5-9(6-4-7)19(17,18)13-10(8(2)14)11(15)12-16/h3-6,8,10,13-14,16H,1-2H3,(H,12,15)
InChIKeyIMUDXAMRAODXKV-UHFFFAOYSA-N
XLogP-0.47
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 11687862) is N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)NC(C(=O)NO)C(C)O)cc1.
What is the InChIKey of N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is IMUDXAMRAODXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7-3-5-9(6-4-7)19(17,18)13-10(8(2)14)11(15)12-16/h3-6,8,10,13-14,16H,1-2H3,(H,12,15).
What are the key properties of N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide?
N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 288.33 g/mol, XLogP of -0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 11687862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).