5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide

C22H29NO4S — CID 23439313

IUPAC5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide
SMILESCC(CCC(CC(O)CCc1ccccc1)S(=O)(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C22H29NO4S/c1-17(22(23)25)12-15-21(28(26,27)20-10-6-3-7-11-20)16-19(24)14-13-18-8-4-2-5-9-18/h2-11,17,19,21,24H,12-16H2,1H3,(H2,23,25)
InChIKeyAXXVRXQQQJYKNF-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.11
Rot. Bonds11

About 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide

5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide (PubChem CID 23439313) has the molecular formula C22H29NO4S and a molecular weight of 403.54 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide
PubChem CID23439313
Molecular FormulaC22H29NO4S
Molecular Weight403.54 g/mol
Exact Mass403.18
IUPAC Name5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide
SMILESCC(CCC(CC(O)CCc1ccccc1)S(=O)(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C22H29NO4S/c1-17(22(23)25)12-15-21(28(26,27)20-10-6-3-7-11-20)16-19(24)14-13-18-8-4-2-5-9-18/h2-11,17,19,21,24H,12-16H2,1H3,(H2,23,25)
InChIKeyAXXVRXQQQJYKNF-UHFFFAOYSA-N
XLogP3.11
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide?
The IUPAC name of 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide (CID 23439313) is 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide.
What is the SMILES notation for 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide?
The canonical SMILES for 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide is CC(CCC(CC(O)CCc1ccccc1)S(=O)(=O)c1ccccc1)C(N)=O.
What is the InChIKey of 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide?
The InChIKey is AXXVRXQQQJYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4S/c1-17(22(23)25)12-15-21(28(26,27)20-10-6-3-7-11-20)16-19(24)14-13-18-8-4-2-5-9-18/h2-11,17,19,21,24H,12-16H2,1H3,(H2,23,25).
What are the key properties of 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide?
5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide has a molecular weight of 403.54 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide is sourced from PubChem (CID 23439313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).