4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C16H20N2O5S3 — CID 3226777

IUPAC4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H20N2O5S3/c1-13(16-3-2-12-24-16)17-25(19,20)14-4-6-15(7-5-14)26(21,22)18-8-10-23-11-9-18/h2-7,12-13,17H,8-11H2,1H3
InChIKeyLVJNSJVKVSUAOV-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.81
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3226777) has the molecular formula C16H20N2O5S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3226777
Molecular FormulaC16H20N2O5S3
Molecular Weight416.55 g/mol
Exact Mass416.05
IUPAC Name4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H20N2O5S3/c1-13(16-3-2-12-24-16)17-25(19,20)14-4-6-15(7-5-14)26(21,22)18-8-10-23-11-9-18/h2-7,12-13,17H,8-11H2,1H3
InChIKeyLVJNSJVKVSUAOV-UHFFFAOYSA-N
XLogP1.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 3226777) is 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is LVJNSJVKVSUAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S3/c1-13(16-3-2-12-24-16)17-25(19,20)14-4-6-15(7-5-14)26(21,22)18-8-10-23-11-9-18/h2-7,12-13,17H,8-11H2,1H3.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 416.55 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3226777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).