3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide

C17H19NO5S2 — CID 2765506

IUPAC3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO5S2/c19-17(11-13-24(20,21)15-7-3-1-4-8-15)18-12-14-25(22,23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeySZUVUDDGZLISJH-UHFFFAOYSA-N
MW381.47 g/mol
LogP1.44
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide (PubChem CID 2765506) has the molecular formula C17H19NO5S2 and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide
PubChem CID2765506
Molecular FormulaC17H19NO5S2
Molecular Weight381.47 g/mol
Exact Mass381.07
IUPAC Name3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO5S2/c19-17(11-13-24(20,21)15-7-3-1-4-8-15)18-12-14-25(22,23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeySZUVUDDGZLISJH-UHFFFAOYSA-N
XLogP1.44
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide (CID 2765506) is 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide?
The InChIKey is SZUVUDDGZLISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c19-17(11-13-24(20,21)15-7-3-1-4-8-15)18-12-14-25(22,23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide has a molecular weight of 381.47 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(benzenesulfonyl)ethyl]propanamide is sourced from PubChem (CID 2765506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).