N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide

C18H17BrF2N2O3S — CID 24755148

IUPACN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide
SMILESO=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCCCC1
InChIInChI=1S/C18H17BrF2N2O3S/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)16(11-12)22-27(25,26)17-14(20)5-4-6-15(17)21/h4-8,11,22H,1-3,9-10H2
InChIKeyCEZDOZMPJGOTJA-UHFFFAOYSA-N
MW459.31 g/mol
LogP4.15
Rot. Bonds4

About N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide

N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 24755148) has the molecular formula C18H17BrF2N2O3S and a molecular weight of 459.31 g/mol. Its IUPAC name is N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide
PubChem CID24755148
Molecular FormulaC18H17BrF2N2O3S
Molecular Weight459.31 g/mol
Exact Mass458.01
IUPAC NameN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide
SMILESO=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCCCC1
InChIInChI=1S/C18H17BrF2N2O3S/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)16(11-12)22-27(25,26)17-14(20)5-4-6-15(17)21/h4-8,11,22H,1-3,9-10H2
InChIKeyCEZDOZMPJGOTJA-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
4-methyl-N-[2-(1-piperidinylcarbonyl)phenyl]benzenesulfonamide
CID 1049835
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 25033224
4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
CID 1110928
N-(3-bromophenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1303094
4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2333468
2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 2373620
N-(1-benzylpiperidin-4-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide;hydrochloride
CID 44202981
2-{[(4-Fluorophenyl)sulfonyl]amino}phenyl 2-methylpiperidyl ketone
CID 2922176
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide
CID 25033309
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 44445282
N-[2-(4-acetylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336859

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide (CID 24755148) is N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide is O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCCCC1.
What is the InChIKey of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is CEZDOZMPJGOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O3S/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)16(11-12)22-27(25,26)17-14(20)5-4-6-15(17)21/h4-8,11,22H,1-3,9-10H2.
What are the key properties of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide?
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 459.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 24755148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).