2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide

C11H12N4O3S2 — CID 31265617

IUPAC2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)s1
InChIInChI=1S/C11H12N4O3S2/c1-6-3-4-8(20(12,17)18)5-9(6)10(16)13-11-15-14-7(2)19-11/h3-5H,1-2H3,(H2,12,17,18)(H,13,15,16)
InChIKeyOJVFFCKUGMEUBV-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide (PubChem CID 31265617) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
PubChem CID31265617
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)s1
InChIInChI=1S/C11H12N4O3S2/c1-6-3-4-8(20(12,17)18)5-9(6)10(16)13-11-15-14-7(2)19-11/h3-5H,1-2H3,(H2,12,17,18)(H,13,15,16)
InChIKeyOJVFFCKUGMEUBV-UHFFFAOYSA-N
XLogP1.05
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 29412307
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
CID 55846368
5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 26881359
5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 115597803
2-methyl-5-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55551181
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
CID 25488827
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 6941940
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide (CID 31265617) is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide is Cc1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
The InChIKey is OJVFFCKUGMEUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-6-3-4-8(20(12,17)18)5-9(6)10(16)13-11-15-14-7(2)19-11/h3-5H,1-2H3,(H2,12,17,18)(H,13,15,16).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide?
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide has a molecular weight of 312.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 31265617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).