3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide

C11H11N3O3S2 — CID 6493258

IUPAC3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nncs1
InChIInChI=1S/C11H11N3O3S2/c15-10(13-11-14-12-8-18-11)6-7-19(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15)
InChIKeyADCQIRNYPJAMEL-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.34
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 6493258) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID6493258
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Name3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nncs1
InChIInChI=1S/C11H11N3O3S2/c15-10(13-11-14-12-8-18-11)6-7-19(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15)
InChIKeyADCQIRNYPJAMEL-UHFFFAOYSA-N
XLogP1.34
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 6493258) is 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nncs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is ADCQIRNYPJAMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c15-10(13-11-14-12-8-18-11)6-7-19(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14,15).
What are the key properties of 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 297.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 6493258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).