3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide

C16H14N4O4S2 — CID 29370167

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C16H14N4O4S2/c1-24-14-8-3-2-7-13(14)20-26(22,23)12-6-4-5-11(9-12)15(21)18-16-19-17-10-25-16/h2-10,20H,1H3,(H,18,19,21)
InChIKeyHZPRHBOLCWAJBT-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.60
Rot. Bonds6

About 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide

3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29370167) has the molecular formula C16H14N4O4S2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29370167
Molecular FormulaC16H14N4O4S2
Molecular Weight390.45 g/mol
Exact Mass390.05
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C16H14N4O4S2/c1-24-14-8-3-2-7-13(14)20-26(22,23)12-6-4-5-11(9-12)15(21)18-16-19-17-10-25-16/h2-10,20H,1H3,(H,18,19,21)
InChIKeyHZPRHBOLCWAJBT-UHFFFAOYSA-N
XLogP2.60
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370201
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
3-[(2-methoxyphenyl)sulfamoyl]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide
CID 75468512
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29370167) is 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HZPRHBOLCWAJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S2/c1-24-14-8-3-2-7-13(14)20-26(22,23)12-6-4-5-11(9-12)15(21)18-16-19-17-10-25-16/h2-10,20H,1H3,(H,18,19,21).
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 390.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29370167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).