N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide

C13H18N4O5S3 — CID 100668013

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)CCOC)cc2)s1
InChIInChI=1S/C13H18N4O5S3/c1-3-12-14-15-13(23-12)17-25(20,21)11-6-4-10(5-7-11)16-24(18,19)9-8-22-2/h4-7,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyGOXHFLMAUYOTAL-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.29
Rot. Bonds9

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide (PubChem CID 100668013) has the molecular formula C13H18N4O5S3 and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
PubChem CID100668013
Molecular FormulaC13H18N4O5S3
Molecular Weight406.51 g/mol
Exact Mass406.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)CCOC)cc2)s1
InChIInChI=1S/C13H18N4O5S3/c1-3-12-14-15-13(23-12)17-25(20,21)11-6-4-10(5-7-11)16-24(18,19)9-8-22-2/h4-7,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyGOXHFLMAUYOTAL-UHFFFAOYSA-N
XLogP1.29
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 106089691
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
CID 75379098
4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 50739495
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 3312448
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 5027269
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16804484

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide (CID 100668013) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)CCOC)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide?
The InChIKey is GOXHFLMAUYOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5S3/c1-3-12-14-15-13(23-12)17-25(20,21)11-6-4-10(5-7-11)16-24(18,19)9-8-22-2/h4-7,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 100668013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).