2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

C14H21BrClFN2O2S — CID 119993945

IUPAC2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Br.Cl
InChIInChI=1S/C14H20BrFN2O2S.ClH/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15;/h3-4,10,12,17H,2,5-9H2,1H3;1H
InChIKeyCEQNETNJXPKTLJ-UHFFFAOYSA-N
MW415.76 g/mol
LogP3.16
Rot. Bonds5

About 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 119993945) has the molecular formula C14H21BrClFN2O2S and a molecular weight of 415.76 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID119993945
Molecular FormulaC14H21BrClFN2O2S
Molecular Weight415.76 g/mol
Exact Mass414.02
IUPAC Name2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Br.Cl
InChIInChI=1S/C14H20BrFN2O2S.ClH/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15;/h3-4,10,12,17H,2,5-9H2,1H3;1H
InChIKeyCEQNETNJXPKTLJ-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
3-bromo-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994194
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976635
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
5-bromo-2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976636
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 119993945) is 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Br.Cl.
What is the InChIKey of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is CEQNETNJXPKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S.ClH/c1-2-9-18(12-5-7-17-8-6-12)21(19,20)14-4-3-11(16)10-13(14)15;/h3-4,10,12,17H,2,5-9H2,1H3;1H.
What are the key properties of 2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 415.76 g/mol, XLogP of 3.16, 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-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).