2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide

C21H25FN2O3S — CID 90220398

IUPAC2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccc(OC2CCNCC2)cc1C1CCC1
InChIInChI=1S/C21H25FN2O3S/c22-16-5-2-6-17(13-16)24-28(25,26)21-8-7-19(14-20(21)15-3-1-4-15)27-18-9-11-23-12-10-18/h2,5-8,13-15,18,23-24H,1,3-4,9-12H2
InChIKeySPPOVWUEACNONX-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.02
Rot. Bonds6

About 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide

2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide (PubChem CID 90220398) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide
PubChem CID90220398
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccc(OC2CCNCC2)cc1C1CCC1
InChIInChI=1S/C21H25FN2O3S/c22-16-5-2-6-17(13-16)24-28(25,26)21-8-7-19(14-20(21)15-3-1-4-15)27-18-9-11-23-12-10-18/h2,5-8,13-15,18,23-24H,1,3-4,9-12H2
InChIKeySPPOVWUEACNONX-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide
CID 35548330
N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide
CID 35547755
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
N-(4-piperidin-4-yloxyphenyl)methanesulfonamide
CID 19420800
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
N-(4-cyclopentyloxyphenyl)-2,6-difluorobenzenesulfonamide
CID 35548239
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
N-(3-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147954
4-(3,4-difluorophenoxy)azepane
CID 63904830

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide?
The IUPAC name of 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide (CID 90220398) is 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide.
What is the SMILES notation for 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide?
The canonical SMILES for 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide is O=S(=O)(Nc1cccc(F)c1)c1ccc(OC2CCNCC2)cc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide?
The InChIKey is SPPOVWUEACNONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c22-16-5-2-6-17(13-16)24-28(25,26)21-8-7-19(14-20(21)15-3-1-4-15)27-18-9-11-23-12-10-18/h2,5-8,13-15,18,23-24H,1,3-4,9-12H2.
What are the key properties of 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide?
2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide has a molecular weight of 404.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide is sourced from PubChem (CID 90220398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).