N-(4-bromophenyl)piperidine-1-sulfonamide

C11H15BrN2O2S — CID 2140092

IUPACN-(4-bromophenyl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C11H15BrN2O2S/c12-10-4-6-11(7-5-10)13-17(15,16)14-8-2-1-3-9-14/h4-7,13H,1-3,8-9H2
InChIKeyWSAOWKJCGBXYBL-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.59
Rot. Bonds3

About N-(4-bromophenyl)piperidine-1-sulfonamide

N-(4-bromophenyl)piperidine-1-sulfonamide (PubChem CID 2140092) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(4-bromophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)piperidine-1-sulfonamide
PubChem CID2140092
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-(4-bromophenyl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C11H15BrN2O2S/c12-10-4-6-11(7-5-10)13-17(15,16)14-8-2-1-3-9-14/h4-7,13H,1-3,8-9H2
InChIKeyWSAOWKJCGBXYBL-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(4-bromophenyl)piperidine-1-sulfonamide (CID 2140092) is N-(4-bromophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)piperidine-1-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)piperidine-1-sulfonamide?
The InChIKey is WSAOWKJCGBXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-10-4-6-11(7-5-10)13-17(15,16)14-8-2-1-3-9-14/h4-7,13H,1-3,8-9H2.
What are the key properties of N-(4-bromophenyl)piperidine-1-sulfonamide?
N-(4-bromophenyl)piperidine-1-sulfonamide has a molecular weight of 319.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 2140092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).