N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide

C11H14BrClN2O2S — CID 81280209

IUPACN-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)C1CCCNC1
InChIInChI=1S/C11H14BrClN2O2S/c12-10-4-3-8(13)6-11(10)15-18(16,17)9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyHLKHMYPBHBJPEX-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.60
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide

N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide (PubChem CID 81280209) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
PubChem CID81280209
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC NameN-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)C1CCCNC1
InChIInChI=1S/C11H14BrClN2O2S/c12-10-4-3-8(13)6-11(10)15-18(16,17)9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyHLKHMYPBHBJPEX-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199
N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
CID 155193788
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(2-chlorophenyl)piperidine-3-sulfonamide
CID 54973700
N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
CID 103415161
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-(2-bromo-4-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-(2,5-dimethylphenyl)piperidine-3-sulfonamide
CID 24699757
N-(5-bromo-4-methyl-2-pyridinyl)piperidine-3-sulfonamide
CID 79730057
methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343259
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide (CID 81280209) is N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Br)C1CCCNC1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide?
The InChIKey is HLKHMYPBHBJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-10-4-3-8(13)6-11(10)15-18(16,17)9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2.
What are the key properties of N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide?
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide has a molecular weight of 353.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 81280209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).