5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

C16H20ClN3O2S2 — CID 113030748

IUPAC5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCC1CCCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)nc1
InChIInChI=1S/C16H20ClN3O2S2/c1-2-12-5-3-4-10-20(12)13-6-8-15(18-11-13)19-24(21,22)16-9-7-14(17)23-16/h6-9,11-12H,2-5,10H2,1H3,(H,18,19)
InChIKeyPKZOUAJQQXYCGO-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.37
Rot. Bonds5

About 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113030748) has the molecular formula C16H20ClN3O2S2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113030748
Molecular FormulaC16H20ClN3O2S2
Molecular Weight385.94 g/mol
Exact Mass385.07
IUPAC Name5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCC1CCCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)nc1
InChIInChI=1S/C16H20ClN3O2S2/c1-2-12-5-3-4-10-20(12)13-6-8-15(18-11-13)19-24(21,22)16-9-7-14(17)23-16/h6-9,11-12H,2-5,10H2,1H3,(H,18,19)
InChIKeyPKZOUAJQQXYCGO-UHFFFAOYSA-N
XLogP4.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (CID 113030748) is 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is CCC1CCCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)nc1.
What is the InChIKey of 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is PKZOUAJQQXYCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S2/c1-2-12-5-3-4-10-20(12)13-6-8-15(18-11-13)19-24(21,22)16-9-7-14(17)23-16/h6-9,11-12H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 385.94 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113030748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).