4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide

C18H22N2O4S — CID 162657742

IUPAC4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)15-8-10-16(11-9-15)25(23,24)19-12-13-4-6-14(7-5-13)17(21)20-22/h4-11,19,22H,12H2,1-3H3,(H,20,21)
InChIKeyOFSHQSOIPYXKQN-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.58
Rot. Bonds5

About 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide (PubChem CID 162657742) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide
PubChem CID162657742
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)15-8-10-16(11-9-15)25(23,24)19-12-13-4-6-14(7-5-13)17(21)20-22/h4-11,19,22H,12H2,1-3H3,(H,20,21)
InChIKeyOFSHQSOIPYXKQN-UHFFFAOYSA-N
XLogP2.58
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide (CID 162657742) is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
The InChIKey is OFSHQSOIPYXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-18(2,3)15-8-10-16(11-9-15)25(23,24)19-12-13-4-6-14(7-5-13)17(21)20-22/h4-11,19,22H,12H2,1-3H3,(H,20,21).
What are the key properties of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162657742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).