3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

C14H22FN3O2S — CID 63322579

IUPAC3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C14H22FN3O2S/c1-11(10-18-5-3-2-4-6-18)17-21(19,20)14-8-12(15)7-13(16)9-14/h7-9,11,17H,2-6,10,16H2,1H3
InChIKeyRMUAQJHXGBPVSD-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.56
Rot. Bonds5

About 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 63322579) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID63322579
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C14H22FN3O2S/c1-11(10-18-5-3-2-4-6-18)17-21(19,20)14-8-12(15)7-13(16)9-14/h7-9,11,17H,2-6,10,16H2,1H3
InChIKeyRMUAQJHXGBPVSD-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471821
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106009233
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluorobenzenesulfonamide
CID 104827294

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (CID 63322579) is 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCCCC1)NS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is RMUAQJHXGBPVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-11(10-18-5-3-2-4-6-18)17-21(19,20)14-8-12(15)7-13(16)9-14/h7-9,11,17H,2-6,10,16H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63322579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).