5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide

C14H22BrN3O2S — CID 136528425

IUPAC5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cncc(Br)c2)C(C)C1
InChIInChI=1S/C14H22BrN3O2S/c1-4-18-6-5-14(11(2)10-18)17(3)21(19,20)13-7-12(15)8-16-9-13/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyADEVPGLWZMTFIA-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.19
Rot. Bonds4

About 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide

5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 136528425) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
PubChem CID136528425
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cncc(Br)c2)C(C)C1
InChIInChI=1S/C14H22BrN3O2S/c1-4-18-6-5-14(11(2)10-18)17(3)21(19,20)13-7-12(15)8-16-9-13/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyADEVPGLWZMTFIA-UHFFFAOYSA-N
XLogP2.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide (CID 136528425) is 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2cncc(Br)c2)C(C)C1.
What is the InChIKey of 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is ADEVPGLWZMTFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-4-18-6-5-14(11(2)10-18)17(3)21(19,20)13-7-12(15)8-16-9-13/h7-9,11,14H,4-6,10H2,1-3H3.
What are the key properties of 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide?
5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 136528425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).