3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C13H14N4O4S2 — CID 1101797

IUPAC3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H14N4O4S2/c18-12(15-13-16-14-9-22-13)10-2-1-3-11(8-10)23(19,20)17-4-6-21-7-5-17/h1-3,8-9H,4-7H2,(H,15,16,18)
InChIKeyMBMODMMFBMXXKT-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.81
Rot. Bonds4

About 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1101797) has the molecular formula C13H14N4O4S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1101797
Molecular FormulaC13H14N4O4S2
Molecular Weight354.41 g/mol
Exact Mass354.05
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H14N4O4S2/c18-12(15-13-16-14-9-22-13)10-2-1-3-11(8-10)23(19,20)17-4-6-21-7-5-17/h1-3,8-9H,4-7H2,(H,15,16,18)
InChIKeyMBMODMMFBMXXKT-UHFFFAOYSA-N
XLogP0.81
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2125285
Ethyl [(5-{[3-(1-pyrrolidinylsulfonyl)benzoyl]amino}-1,3,4-thiadiazol-2-yl)thio]acetate
CID 2064372
Ethyl [(5-{[3-(1-azepanylsulfonyl)benzoyl]amino}-1,3,4-thiadiazol-2-yl)thio]acetate
CID 2975858
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 4060668
4-morpholin-4-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 4588141
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 5070084
4-(N,N-dimethylsulfamoyl)-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)benzamide
CID 7095490
4-Fluoro-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017585
4-Methyl-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017587
3-Methyl-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017593
2-Fluoro-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017595
3-Fluoro-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017617

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1101797) is 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MBMODMMFBMXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S2/c18-12(15-13-16-14-9-22-13)10-2-1-3-11(8-10)23(19,20)17-4-6-21-7-5-17/h1-3,8-9H,4-7H2,(H,15,16,18).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1101797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).