4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide

C14H20BrFN2O2S — CID 103697368

IUPAC4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCC1CCN(CCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H20BrFN2O2S/c1-11-4-7-18(8-5-11)9-6-17-21(19,20)12-2-3-13(15)14(16)10-12/h2-3,10-11,17H,4-9H2,1H3
InChIKeyLWYJEOCJFFPNBN-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.60
Rot. Bonds5

About 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide

4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 103697368) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID103697368
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCC1CCN(CCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H20BrFN2O2S/c1-11-4-7-18(8-5-11)9-6-17-21(19,20)12-2-3-13(15)14(16)10-12/h2-3,10-11,17H,4-9H2,1H3
InChIKeyLWYJEOCJFFPNBN-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 17461365
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
3-amino-4-bromo-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide (CID 103697368) is 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide is CC1CCN(CCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is LWYJEOCJFFPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c1-11-4-7-18(8-5-11)9-6-17-21(19,20)12-2-3-13(15)14(16)10-12/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103697368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).