3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide

C18H22FNO4S — CID 71810764

IUPAC3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide
SMILESCCC(CNS(=O)(=O)c1ccc(OC)c(F)c1)(OC)c1ccccc1
InChIInChI=1S/C18H22FNO4S/c1-4-18(24-3,14-8-6-5-7-9-14)13-20-25(21,22)15-10-11-17(23-2)16(19)12-15/h5-12,20H,4,13H2,1-3H3
InChIKeyJROVEPIHRYTCPG-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.06
Rot. Bonds8

About 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide

3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide (PubChem CID 71810764) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide
PubChem CID71810764
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC Name3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide
SMILESCCC(CNS(=O)(=O)c1ccc(OC)c(F)c1)(OC)c1ccccc1
InChIInChI=1S/C18H22FNO4S/c1-4-18(24-3,14-8-6-5-7-9-14)13-20-25(21,22)15-10-11-17(23-2)16(19)12-15/h5-12,20H,4,13H2,1-3H3
InChIKeyJROVEPIHRYTCPG-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
CID 90599639
3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
N-(2-amino-2-ethylbutyl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 120875444
3-fluoro-4-methoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30867180
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 64557210
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide (CID 71810764) is 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide is CCC(CNS(=O)(=O)c1ccc(OC)c(F)c1)(OC)c1ccccc1.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide?
The InChIKey is JROVEPIHRYTCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-4-18(24-3,14-8-6-5-7-9-14)13-20-25(21,22)15-10-11-17(23-2)16(19)12-15/h5-12,20H,4,13H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 71810764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).