2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

C14H20BrFN2O2S — CID 61060737

IUPAC2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O2S/c1-11(10-18-7-3-2-4-8-18)17-21(19,20)14-6-5-12(16)9-13(14)15/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyHUTUZJKOIWQDNX-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.74
Rot. Bonds5

About 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61060737) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61060737
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCCCC1)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O2S/c1-11(10-18-7-3-2-4-8-18)17-21(19,20)14-6-5-12(16)9-13(14)15/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyHUTUZJKOIWQDNX-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 61060886
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 63322579
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
5-bromo-2-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61228326
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471974
4-cyano-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 105055659
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (CID 61060737) is 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCCCC1)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is HUTUZJKOIWQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c1-11(10-18-7-3-2-4-8-18)17-21(19,20)14-6-5-12(16)9-13(14)15/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61060737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).