N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

C18H17BrClFN2O3S — CID 34347056

IUPACN-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17BrClFN2O3S/c19-12-1-6-17(20)16(11-12)18(24)23-9-7-14(8-10-23)22-27(25,26)15-4-2-13(21)3-5-15/h1-6,11,14,22H,7-10H2
InChIKeyJGMFKFCNKZBGNF-UHFFFAOYSA-N
MW475.77 g/mol
LogP3.82
Rot. Bonds4

About N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 34347056) has the molecular formula C18H17BrClFN2O3S and a molecular weight of 475.77 g/mol. Its IUPAC name is N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID34347056
Molecular FormulaC18H17BrClFN2O3S
Molecular Weight475.77 g/mol
Exact Mass473.98
IUPAC NameN-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17BrClFN2O3S/c19-12-1-6-17(20)16(11-12)18(24)23-9-7-14(8-10-23)22-27(25,26)15-4-2-13(21)3-5-15/h1-6,11,14,22H,7-10H2
InChIKeyJGMFKFCNKZBGNF-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511603
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 55850395
N-[1-[2-(4-chlorophenyl)sulfanylacetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34339552
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450
N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34340171
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 34347056) is N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is O=C(c1cc(Br)ccc1Cl)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is JGMFKFCNKZBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClFN2O3S/c19-12-1-6-17(20)16(11-12)18(24)23-9-7-14(8-10-23)22-27(25,26)15-4-2-13(21)3-5-15/h1-6,11,14,22H,7-10H2.
What are the key properties of N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 475.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 34347056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).