N-(2-bromophenyl)piperidine-3-sulfonamide

C11H15BrN2O2S — CID 54974199

IUPACN-(2-bromophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)C1CCCNC1
InChIInChI=1S/C11H15BrN2O2S/c12-10-5-1-2-6-11(10)14-17(15,16)9-4-3-7-13-8-9/h1-2,5-6,9,13-14H,3-4,7-8H2
InChIKeyYXTWPNSHAGQYLN-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.94
Rot. Bonds3

About N-(2-bromophenyl)piperidine-3-sulfonamide

N-(2-bromophenyl)piperidine-3-sulfonamide (PubChem CID 54974199) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(2-bromophenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)piperidine-3-sulfonamide
PubChem CID54974199
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-(2-bromophenyl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)C1CCCNC1
InChIInChI=1S/C11H15BrN2O2S/c12-10-5-1-2-6-11(10)14-17(15,16)9-4-3-7-13-8-9/h1-2,5-6,9,13-14H,3-4,7-8H2
InChIKeyYXTWPNSHAGQYLN-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2-bromophenyl)piperidine-3-sulfonamide (CID 54974199) is N-(2-bromophenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)piperidine-3-sulfonamide is O=S(=O)(Nc1ccccc1Br)C1CCCNC1.
What is the InChIKey of N-(2-bromophenyl)piperidine-3-sulfonamide?
The InChIKey is YXTWPNSHAGQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-10-5-1-2-6-11(10)14-17(15,16)9-4-3-7-13-8-9/h1-2,5-6,9,13-14H,3-4,7-8H2.
What are the key properties of N-(2-bromophenyl)piperidine-3-sulfonamide?
N-(2-bromophenyl)piperidine-3-sulfonamide has a molecular weight of 319.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 54974199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).