7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide

C13H18ClNO3S — CID 10063584

IUPAC7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide
SMILESO=C(CCCCCCS(=O)c1ccc(Cl)cc1)NO
InChIInChI=1S/C13H18ClNO3S/c14-11-6-8-12(9-7-11)19(18)10-4-2-1-3-5-13(16)15-17/h6-9,17H,1-5,10H2,(H,15,16)
InChIKeySHQNYGFWQZNGED-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.90
Rot. Bonds8

About 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide

7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide (PubChem CID 10063584) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide
PubChem CID10063584
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide
SMILESO=C(CCCCCCS(=O)c1ccc(Cl)cc1)NO
InChIInChI=1S/C13H18ClNO3S/c14-11-6-8-12(9-7-11)19(18)10-4-2-1-3-5-13(16)15-17/h6-9,17H,1-5,10H2,(H,15,16)
InChIKeySHQNYGFWQZNGED-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide?
The IUPAC name of 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide (CID 10063584) is 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide.
What is the SMILES notation for 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide?
The canonical SMILES for 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide is O=C(CCCCCCS(=O)c1ccc(Cl)cc1)NO.
What is the InChIKey of 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide?
The InChIKey is SHQNYGFWQZNGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-11-6-8-12(9-7-11)19(18)10-4-2-1-3-5-13(16)15-17/h6-9,17H,1-5,10H2,(H,15,16).
What are the key properties of 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide?
7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide has a molecular weight of 303.81 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)sulfinyl-N-hydroxyheptanamide is sourced from PubChem (CID 10063584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).