4-(4-bromophenyl)piperidine-1-sulfonyl chloride

C11H13BrClNO2S — CID 167737598

IUPAC4-(4-bromophenyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H13BrClNO2S/c12-11-3-1-9(2-4-11)10-5-7-14(8-6-10)17(13,15)16/h1-4,10H,5-8H2
InChIKeyGJQQCZHKTUBECN-UHFFFAOYSA-N
MW338.65 g/mol
LogP3.11
Rot. Bonds2

About 4-(4-bromophenyl)piperidine-1-sulfonyl chloride

4-(4-bromophenyl)piperidine-1-sulfonyl chloride (PubChem CID 167737598) has the molecular formula C11H13BrClNO2S and a molecular weight of 338.65 g/mol. Its IUPAC name is 4-(4-bromophenyl)piperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(4-bromophenyl)piperidine-1-sulfonyl chloride
PubChem CID167737598
Molecular FormulaC11H13BrClNO2S
Molecular Weight338.65 g/mol
Exact Mass336.95
IUPAC Name4-(4-bromophenyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H13BrClNO2S/c12-11-3-1-9(2-4-11)10-5-7-14(8-6-10)17(13,15)16/h1-4,10H,5-8H2
InChIKeyGJQQCZHKTUBECN-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)piperidine-1-sulfonyl chloride?
The IUPAC name of 4-(4-bromophenyl)piperidine-1-sulfonyl chloride (CID 167737598) is 4-(4-bromophenyl)piperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-(4-bromophenyl)piperidine-1-sulfonyl chloride?
The canonical SMILES for 4-(4-bromophenyl)piperidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)piperidine-1-sulfonyl chloride?
The InChIKey is GJQQCZHKTUBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2S/c12-11-3-1-9(2-4-11)10-5-7-14(8-6-10)17(13,15)16/h1-4,10H,5-8H2.
What are the key properties of 4-(4-bromophenyl)piperidine-1-sulfonyl chloride?
4-(4-bromophenyl)piperidine-1-sulfonyl chloride has a molecular weight of 338.65 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)piperidine-1-sulfonyl chloride is sourced from PubChem (CID 167737598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).