4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide

C24H27NO5S — CID 58647128

IUPAC4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide
SMILESCCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H27NO5S/c1-2-7-19-18-22(30-21-8-4-3-5-9-21)12-15-24(19)29-17-6-16-28-20-10-13-23(14-11-20)31(25,26)27/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H2,25,26,27)
InChIKeyISKSDUJTJBSNNK-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.93
Rot. Bonds11

About 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide

4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide (PubChem CID 58647128) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide
PubChem CID58647128
Molecular FormulaC24H27NO5S
Molecular Weight441.55 g/mol
Exact Mass441.16
IUPAC Name4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide
SMILESCCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H27NO5S/c1-2-7-19-18-22(30-21-8-4-3-5-9-21)12-15-24(19)29-17-6-16-28-20-10-13-23(14-11-20)31(25,26)27/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H2,25,26,27)
InChIKeyISKSDUJTJBSNNK-UHFFFAOYSA-N
XLogP4.93
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide?
The IUPAC name of 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide (CID 58647128) is 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide is CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide?
The InChIKey is ISKSDUJTJBSNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S/c1-2-7-19-18-22(30-21-8-4-3-5-9-21)12-15-24(19)29-17-6-16-28-20-10-13-23(14-11-20)31(25,26)27/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H2,25,26,27).
What are the key properties of 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide?
4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide is sourced from PubChem (CID 58647128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).