(3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide

C13H19NO4S — CID 10613145

IUPAC(3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide
SMILESCCCC[C@@H](CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyTUUMURVUDGZZQZ-LBPRGKRZSA-N
MW285.36 g/mol
LogP1.91
Rot. Bonds7

About (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide

(3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide (PubChem CID 10613145) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide.

Molecular Properties

Compound Name(3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide
PubChem CID10613145
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name(3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide
SMILESCCCC[C@@H](CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyTUUMURVUDGZZQZ-LBPRGKRZSA-N
XLogP1.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.91
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'}

Analyze (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide?
The IUPAC name of (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide (CID 10613145) is (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide.
What is the SMILES notation for (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide?
The canonical SMILES for (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide is CCCC[C@@H](CC(=O)NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide?
The InChIKey is TUUMURVUDGZZQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide?
(3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide has a molecular weight of 285.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide is sourced from PubChem (CID 10613145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).