4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide

C19H29NO5S — CID 514077

IUPAC4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide
SMILESCCC(=O)C(CCCCCCOc1ccc(S(N)(=O)=O)cc1)C(=O)CC
InChIInChI=1S/C19H29NO5S/c1-3-18(21)17(19(22)4-2)9-7-5-6-8-14-25-15-10-12-16(13-11-15)26(20,23)24/h10-13,17H,3-9,14H2,1-2H3,(H2,20,23,24)
InChIKeyJDDKLWIAXNZHSA-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.24
Rot. Bonds13

About 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide

4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide (PubChem CID 514077) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide
PubChem CID514077
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Name4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide
SMILESCCC(=O)C(CCCCCCOc1ccc(S(N)(=O)=O)cc1)C(=O)CC
InChIInChI=1S/C19H29NO5S/c1-3-18(21)17(19(22)4-2)9-7-5-6-8-14-25-15-10-12-16(13-11-15)26(20,23)24/h10-13,17H,3-9,14H2,1-2H3,(H2,20,23,24)
InChIKeyJDDKLWIAXNZHSA-UHFFFAOYSA-N
XLogP3.24
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide?
The IUPAC name of 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide (CID 514077) is 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide.
What is the SMILES notation for 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide?
The canonical SMILES for 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide is CCC(=O)C(CCCCCCOc1ccc(S(N)(=O)=O)cc1)C(=O)CC.
What is the InChIKey of 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide?
The InChIKey is JDDKLWIAXNZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-3-18(21)17(19(22)4-2)9-7-5-6-8-14-25-15-10-12-16(13-11-15)26(20,23)24/h10-13,17H,3-9,14H2,1-2H3,(H2,20,23,24).
What are the key properties of 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide?
4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 3.24, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxo-7-propanoyldecoxy)benzenesulfonamide is sourced from PubChem (CID 514077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).