4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide

C13H19BrN2O2S — CID 99823659

IUPAC4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(c2ccccc2Br)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-2-15-19(17,18)16-9-7-11(8-10-16)12-5-3-4-6-13(12)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyKUBSDACBLMDKPT-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.48
Rot. Bonds4

About 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide

4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide (PubChem CID 99823659) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide
PubChem CID99823659
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(c2ccccc2Br)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-2-15-19(17,18)16-9-7-11(8-10-16)12-5-3-4-6-13(12)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyKUBSDACBLMDKPT-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide (CID 99823659) is 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(c2ccccc2Br)CC1.
What is the InChIKey of 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide?
The InChIKey is KUBSDACBLMDKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-2-15-19(17,18)16-9-7-11(8-10-16)12-5-3-4-6-13(12)14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide?
4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-ethylpiperidine-1-sulfonamide is sourced from PubChem (CID 99823659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).