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

C19H20Cl2N2O3S2 — CID 67156760

IUPAC5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(OC2CCNCC2)c2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClN2O3S2.ClH/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;1H
InChIKeyPQGUVGBQQSKADM-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.91
Rot. Bonds5

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

5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 67156760) has the molecular formula C19H20Cl2N2O3S2 and a molecular weight of 459.42 g/mol. Its IUPAC name is 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID67156760
Molecular FormulaC19H20Cl2N2O3S2
Molecular Weight459.42 g/mol
Exact Mass458.03
IUPAC Name5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(OC2CCNCC2)c2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClN2O3S2.ClH/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;1H
InChIKeyPQGUVGBQQSKADM-UHFFFAOYSA-N
XLogP4.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.91
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;hydrochloride?
The IUPAC name of 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride (CID 67156760) is 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is PQGUVGBQQSKADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S2.ClH/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;1H.
What are the key properties of 5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride?
5-chloro-N-(4-piperidin-4-yloxynaphthalen-1-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 459.42 g/mol, XLogP of 4.91, 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;hydrochloride is sourced from PubChem (CID 67156760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).