3-(benzenesulfonyl)-N-hydroxyhexanamide

C12H17NO4S — CID 10492338

IUPAC3-(benzenesulfonyl)-N-hydroxyhexanamide
SMILESCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-2-6-11(9-12(14)13-15)18(16,17)10-7-4-3-5-8-10/h3-5,7-8,11,15H,2,6,9H2,1H3,(H,13,14)
InChIKeyUNLFOWWEZQHCHX-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.52
Rot. Bonds6

About 3-(benzenesulfonyl)-N-hydroxyhexanamide

3-(benzenesulfonyl)-N-hydroxyhexanamide (PubChem CID 10492338) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-hydroxyhexanamide
PubChem CID10492338
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name3-(benzenesulfonyl)-N-hydroxyhexanamide
SMILESCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-2-6-11(9-12(14)13-15)18(16,17)10-7-4-3-5-8-10/h3-5,7-8,11,15H,2,6,9H2,1H3,(H,13,14)
InChIKeyUNLFOWWEZQHCHX-UHFFFAOYSA-N
XLogP1.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-hydroxyhexanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-hydroxyhexanamide (CID 10492338) is 3-(benzenesulfonyl)-N-hydroxyhexanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-hydroxyhexanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-hydroxyhexanamide is CCCC(CC(=O)NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-hydroxyhexanamide?
The InChIKey is UNLFOWWEZQHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-2-6-11(9-12(14)13-15)18(16,17)10-7-4-3-5-8-10/h3-5,7-8,11,15H,2,6,9H2,1H3,(H,13,14).
What are the key properties of 3-(benzenesulfonyl)-N-hydroxyhexanamide?
3-(benzenesulfonyl)-N-hydroxyhexanamide has a molecular weight of 271.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-hydroxyhexanamide is sourced from PubChem (CID 10492338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).