N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide

C20H25FN2O3S — CID 113092662

IUPACN-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15(2)26-17-7-9-18(10-8-17)27(24,25)22-19-14-16(21)6-11-20(19)23-12-4-3-5-13-23/h6-11,14-15,22H,3-5,12-13H2,1-2H3
InChIKeyNBEDSNIJUWOAFD-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.40
Rot. Bonds6

About N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide

N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113092662) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID113092662
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-15(2)26-17-7-9-18(10-8-17)27(24,25)22-19-14-16(21)6-11-20(19)23-12-4-3-5-13-23/h6-11,14-15,22H,3-5,12-13H2,1-2H3
InChIKeyNBEDSNIJUWOAFD-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
4-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3859030
N-(5-fluoro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 113092648
3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 73437637
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372874
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide (CID 113092662) is N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1.
What is the InChIKey of N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is NBEDSNIJUWOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-15(2)26-17-7-9-18(10-8-17)27(24,25)22-19-14-16(21)6-11-20(19)23-12-4-3-5-13-23/h6-11,14-15,22H,3-5,12-13H2,1-2H3.
What are the key properties of N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide?
N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113092662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).