5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide

C19H19ClN2O3S2 — CID 67156761

IUPAC5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC2CCNCC2)c2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClN2O3S2/c20-18-7-8-19(26-18)27(23,24)22-16-5-6-17(15-4-2-1-3-14(15)16)25-13-9-11-21-12-10-13/h1-8,13,21-22H,9-12H2
InChIKeyVQBDBSRMXVSRGD-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.49
Rot. Bonds5

About 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide

5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 67156761) has the molecular formula C19H19ClN2O3S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID67156761
Molecular FormulaC19H19ClN2O3S2
Molecular Weight422.96 g/mol
Exact Mass422.05
IUPAC Name5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC2CCNCC2)c2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClN2O3S2/c20-18-7-8-19(26-18)27(23,24)22-16-5-6-17(15-4-2-1-3-14(15)16)25-13-9-11-21-12-10-13/h1-8,13,21-22H,9-12H2
InChIKeyVQBDBSRMXVSRGD-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide (CID 67156761) is 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC2CCNCC2)c2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is VQBDBSRMXVSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S2/c20-18-7-8-19(26-18)27(23,24)22-16-5-6-17(15-4-2-1-3-14(15)16)25-13-9-11-21-12-10-13/h1-8,13,21-22H,9-12H2.
What are the key properties of 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide?
5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 422.96 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 67156761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).