4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

C13H19BrClFN2O2S — CID 120708183

IUPAC4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CCCNC1.Cl
InChIInChI=1S/C13H18BrFN2O2S.ClH/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-5-4-11(14)7-12(13)15;/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3;1H
InChIKeyBGVBMMREJIDXBW-UHFFFAOYSA-N
MW401.73 g/mol
LogP2.68
Rot. Bonds4

About 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120708183) has the molecular formula C13H19BrClFN2O2S and a molecular weight of 401.73 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID120708183
Molecular FormulaC13H19BrClFN2O2S
Molecular Weight401.73 g/mol
Exact Mass400.00
IUPAC Name4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1F)C1CCCNC1.Cl
InChIInChI=1S/C13H18BrFN2O2S.ClH/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-5-4-11(14)7-12(13)15;/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3;1H
InChIKeyBGVBMMREJIDXBW-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.73
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
4-bromo-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 116528880
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 120708183) is 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is CC(NS(=O)(=O)c1ccc(Br)cc1F)C1CCCNC1.Cl.
What is the InChIKey of 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is BGVBMMREJIDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S.ClH/c1-9(10-3-2-6-16-8-10)17-20(18,19)13-5-4-11(14)7-12(13)15;/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3;1H.
What are the key properties of 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 401.73 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120708183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).