5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide

C20H20N2O5S3 — CID 2813492

IUPAC5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H20N2O5S3/c23-29(24,16-6-2-1-3-7-16)19-10-11-20(28-19)30(25,26)21-17-8-4-5-9-18(17)22-12-14-27-15-13-22/h1-11,21H,12-15H2
InChIKeyYFTYMAQQSBSTJB-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.22
Rot. Bonds6

About 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide

5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide (PubChem CID 2813492) has the molecular formula C20H20N2O5S3 and a molecular weight of 464.59 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
PubChem CID2813492
Molecular FormulaC20H20N2O5S3
Molecular Weight464.59 g/mol
Exact Mass464.05
IUPAC Name5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H20N2O5S3/c23-29(24,16-6-2-1-3-7-16)19-10-11-20(28-19)30(25,26)21-17-8-4-5-9-18(17)22-12-14-27-15-13-22/h1-11,21H,12-15H2
InChIKeyYFTYMAQQSBSTJB-UHFFFAOYSA-N
XLogP3.22
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide (CID 2813492) is 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is YFTYMAQQSBSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S3/c23-29(24,16-6-2-1-3-7-16)19-10-11-20(28-19)30(25,26)21-17-8-4-5-9-18(17)22-12-14-27-15-13-22/h1-11,21H,12-15H2.
What are the key properties of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 464.59 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2813492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).