N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C18H20BrFN2O2S — CID 99800614

IUPACN-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(c2ccc(Br)cc2)S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H20BrFN2O2S/c1-21-11-9-17(10-12-21)22(16-7-5-14(19)6-8-16)25(23,24)18-4-2-3-15(20)13-18/h2-8,13,17H,9-12H2,1H3
InChIKeyNZQXAKUZHVFKSD-UHFFFAOYSA-N
MW427.34 g/mol
LogP3.88
Rot. Bonds4

About N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide

N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 99800614) has the molecular formula C18H20BrFN2O2S and a molecular weight of 427.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID99800614
Molecular FormulaC18H20BrFN2O2S
Molecular Weight427.34 g/mol
Exact Mass426.04
IUPAC NameN-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(c2ccc(Br)cc2)S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H20BrFN2O2S/c1-21-11-9-17(10-12-21)22(16-7-5-14(19)6-8-16)25(23,24)18-4-2-3-15(20)13-18/h2-8,13,17H,9-12H2,1H3
InChIKeyNZQXAKUZHVFKSD-UHFFFAOYSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
N-(4-fluorophenyl)-3-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055379
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46052093
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265596
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 5184703
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 99800614) is N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(c2ccc(Br)cc2)S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is NZQXAKUZHVFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O2S/c1-21-11-9-17(10-12-21)22(16-7-5-14(19)6-8-16)25(23,24)18-4-2-3-15(20)13-18/h2-8,13,17H,9-12H2,1H3.
What are the key properties of N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 427.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 99800614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).