4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide

C19H23FN2O4S — CID 167840472

IUPAC4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2ccc(N)cc2F)CCOCC1
InChIInChI=1S/C19H23FN2O4S/c1-25-17-5-3-2-4-15(17)19(8-10-26-11-9-19)13-22-27(23,24)18-7-6-14(21)12-16(18)20/h2-7,12,22H,8-11,13,21H2,1H3
InChIKeyOIZAGQWZFWOFSD-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.44
Rot. Bonds6

About 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide

4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (PubChem CID 167840472) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
PubChem CID167840472
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2ccc(N)cc2F)CCOCC1
InChIInChI=1S/C19H23FN2O4S/c1-25-17-5-3-2-4-15(17)19(8-10-26-11-9-19)13-22-27(23,24)18-7-6-14(21)12-16(18)20/h2-7,12,22H,8-11,13,21H2,1H3
InChIKeyOIZAGQWZFWOFSD-UHFFFAOYSA-N
XLogP2.44
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
CID 27450995
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
CID 47388317
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 27451012
4-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104758566
3-chloro-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 52756763
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 47959613
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357869
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
4-[[1-(2-methoxyphenyl)cyclopentyl]methylsulfamoyl]benzamide
CID 86829566
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide (CID 167840472) is 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is COc1ccccc1C1(CNS(=O)(=O)c2ccc(N)cc2F)CCOCC1.
What is the InChIKey of 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
The InChIKey is OIZAGQWZFWOFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-25-17-5-3-2-4-15(17)19(8-10-26-11-9-19)13-22-27(23,24)18-7-6-14(21)12-16(18)20/h2-7,12,22H,8-11,13,21H2,1H3.
What are the key properties of 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide?
4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 167840472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).