2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide

C15H16Cl2N2O2S2 — CID 2813371

IUPAC2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H16Cl2N2O2S2/c16-14-10-13(15(17)22-14)23(20,21)18-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10,18H,1-3,8-9H2
InChIKeyHVJZTEOCIVDJJN-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.85
Rot. Bonds4

About 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide

2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide (PubChem CID 2813371) has the molecular formula C15H16Cl2N2O2S2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide
PubChem CID2813371
Molecular FormulaC15H16Cl2N2O2S2
Molecular Weight391.35 g/mol
Exact Mass390.00
IUPAC Name2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H16Cl2N2O2S2/c16-14-10-13(15(17)22-14)23(20,21)18-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10,18H,1-3,8-9H2
InChIKeyHVJZTEOCIVDJJN-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

SF-22
CID 2111037
1-(4-Chloro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893728
5-chloro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 4579047
N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 1263335
(4-Piperidylphenyl)(2-thienylsulfonyl)amine
CID 718035
2-{[4-(2-Chlorophenyl)piperazinyl]sulfonyl}thiophene
CID 1245098
N-(5-chloro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 2572988
5-Methyl-2-[(4-phenylpiperazinyl)sulfonyl]thiophene
CID 2081030
N-(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)acetamide
CID 893603
5-chloro-N-[2-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
CID 2124908
5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 2161790
4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 2814753

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide (CID 2813371) is 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide?
The InChIKey is HVJZTEOCIVDJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S2/c16-14-10-13(15(17)22-14)23(20,21)18-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10,18H,1-3,8-9H2.
What are the key properties of 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide has a molecular weight of 391.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-piperidin-1-ylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 2813371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).