4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide

C18H21FN2O3S — CID 110359709

IUPAC4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-24-18-10-7-15(21-11-3-2-4-12-21)13-17(18)20-25(22,23)16-8-5-14(19)6-9-16/h5-10,13,20H,2-4,11-12H2,1H3
InChIKeyIMYSYJUFBXFHFU-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.63
Rot. Bonds5

About 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide

4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110359709) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID110359709
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-24-18-10-7-15(21-11-3-2-4-12-21)13-17(18)20-25(22,23)16-8-5-14(19)6-9-16/h5-10,13,20H,2-4,11-12H2,1H3
InChIKeyIMYSYJUFBXFHFU-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
CID 110359724
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110362086
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide (CID 110359709) is 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide is COc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is IMYSYJUFBXFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-24-18-10-7-15(21-11-3-2-4-12-21)13-17(18)20-25(22,23)16-8-5-14(19)6-9-16/h5-10,13,20H,2-4,11-12H2,1H3.
What are the key properties of 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 364.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110359709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).