N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C18H22FNO4S — CID 110288256

IUPACN-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C18H22FNO4S/c1-13-11-17(23-3)18(12-14(13)2)25(21,22)20-9-4-10-24-16-7-5-15(19)6-8-16/h5-8,11-12,20H,4,9-10H2,1-3H3
InChIKeyCBIOBSNKTADWEO-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.20
Rot. Bonds8

About N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 110288256) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID110288256
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C18H22FNO4S/c1-13-11-17(23-3)18(12-14(13)2)25(21,22)20-9-4-10-24-16-7-5-15(19)6-8-16/h5-8,11-12,20H,4,9-10H2,1-3H3
InChIKeyCBIOBSNKTADWEO-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 110288256) is N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCCOc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is CBIOBSNKTADWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-13-11-17(23-3)18(12-14(13)2)25(21,22)20-9-4-10-24-16-7-5-15(19)6-8-16/h5-8,11-12,20H,4,9-10H2,1-3H3.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110288256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).