4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide

C21H21FN2O4S — CID 979804

IUPAC4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1F
InChIInChI=1S/C21H21FN2O4S/c1-27-20-8-4-6-15(21(20)28-14-16-5-2-3-7-19(16)22)13-24-17-9-11-18(12-10-17)29(23,25)26/h2-12,24H,13-14H2,1H3,(H2,23,25,26)
InChIKeyLRVPCVSUSMQZHH-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.67
Rot. Bonds8

About 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide

4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide (PubChem CID 979804) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide
PubChem CID979804
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1F
InChIInChI=1S/C21H21FN2O4S/c1-27-20-8-4-6-15(21(20)28-14-16-5-2-3-7-19(16)22)13-24-17-9-11-18(12-10-17)29(23,25)26/h2-12,24H,13-14H2,1H3,(H2,23,25,26)
InChIKeyLRVPCVSUSMQZHH-UHFFFAOYSA-N
XLogP3.67
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide?
The IUPAC name of 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide (CID 979804) is 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide?
The canonical SMILES for 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide is COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1F.
What is the InChIKey of 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide?
The InChIKey is LRVPCVSUSMQZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-27-20-8-4-6-15(21(20)28-14-16-5-2-3-7-19(16)22)13-24-17-9-11-18(12-10-17)29(23,25)26/h2-12,24H,13-14H2,1H3,(H2,23,25,26).
What are the key properties of 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide?
4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide has a molecular weight of 416.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 979804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).