4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide

C21H22N2O4S3 — CID 2814753

IUPAC4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C21H22N2O4S3/c24-29(25,19-7-3-1-4-8-19)20-15-21(28-16-20)30(26,27)22-17-9-11-18(12-10-17)23-13-5-2-6-14-23/h1,3-4,7-12,15-16,22H,2,5-6,13-14H2
InChIKeyHEMDMEPZHINLCP-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.37
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide

4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 2814753) has the molecular formula C21H22N2O4S3 and a molecular weight of 462.62 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID2814753
Molecular FormulaC21H22N2O4S3
Molecular Weight462.62 g/mol
Exact Mass462.07
IUPAC Name4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C21H22N2O4S3/c24-29(25,19-7-3-1-4-8-19)20-15-21(28-16-20)30(26,27)22-17-9-11-18(12-10-17)23-13-5-2-6-14-23/h1,3-4,7-12,15-16,22H,2,5-6,13-14H2
InChIKeyHEMDMEPZHINLCP-UHFFFAOYSA-N
XLogP4.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide (CID 2814753) is 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is HEMDMEPZHINLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S3/c24-29(25,19-7-3-1-4-8-19)20-15-21(28-16-20)30(26,27)22-17-9-11-18(12-10-17)23-13-5-2-6-14-23/h1,3-4,7-12,15-16,22H,2,5-6,13-14H2.
What are the key properties of 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 462.62 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2814753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).