3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide

C18H22FNO5S — CID 90536544

IUPAC3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OCCO)c2ccc(C)cc2)cc1F
InChIInChI=1S/C18H22FNO5S/c1-13-3-5-14(6-4-13)18(25-10-9-21)12-20-26(22,23)15-7-8-17(24-2)16(19)11-15/h3-8,11,18,20-21H,9-10,12H2,1-2H3
InChIKeyKAVIKCKTNQJGEF-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.17
Rot. Bonds9

About 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide

3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 90536544) has the molecular formula C18H22FNO5S and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID90536544
Molecular FormulaC18H22FNO5S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OCCO)c2ccc(C)cc2)cc1F
InChIInChI=1S/C18H22FNO5S/c1-13-3-5-14(6-4-13)18(25-10-9-21)12-20-26(22,23)15-7-8-17(24-2)16(19)11-15/h3-8,11,18,20-21H,9-10,12H2,1-2H3
InChIKeyKAVIKCKTNQJGEF-UHFFFAOYSA-N
XLogP2.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide
CID 90536518
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 90536519
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
3-fluoro-4-methoxy-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 92680028
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 20962682
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
3-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 90534836
3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide
CID 121023366
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide (CID 90536544) is 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(OCCO)c2ccc(C)cc2)cc1F.
What is the InChIKey of 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is KAVIKCKTNQJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO5S/c1-13-3-5-14(6-4-13)18(25-10-9-21)12-20-26(22,23)15-7-8-17(24-2)16(19)11-15/h3-8,11,18,20-21H,9-10,12H2,1-2H3.
What are the key properties of 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 383.44 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90536544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).