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

C18H14N4O4S2 — CID 985855

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1
InChIInChI=1S/C18H14N4O4S2/c1-2-15-19-20-18(27-15)21-28(25,26)12-9-7-11(8-10-12)22-16(23)13-5-3-4-6-14(13)17(22)24/h3-10H,2H2,1H3,(H,20,21)
InChIKeyMJVPMBJMMXFAPM-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.70
Rot. Bonds5

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

4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 985855) has the molecular formula C18H14N4O4S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID985855
Molecular FormulaC18H14N4O4S2
Molecular Weight414.47 g/mol
Exact Mass414.05
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1
InChIInChI=1S/C18H14N4O4S2/c1-2-15-19-20-18(27-15)21-28(25,26)12-9-7-11(8-10-12)22-16(23)13-5-3-4-6-14(13)17(22)24/h3-10H,2H2,1H3,(H,20,21)
InChIKeyMJVPMBJMMXFAPM-UHFFFAOYSA-N
XLogP2.70
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)-1-naphthamide
CID 1187414
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
4-cyano-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1554444
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2094245
4-(dipropylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 2839288
N-{4-[(5-Ethyl-1,3,4-thiadiazol-2-YL)sulfamoyl]phenyl}-3-nitrobenzamide
CID 4516564
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 471776
4-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 2938153
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2999392
4-(diethylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 3376168
N-{4-[(5-Ethyl-1,3,4-thiadiazol-2-YL)sulfamoyl]phenyl}-2-methylbenzamide
CID 4247716
N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)-2-fluorobenzamide
CID 1069381

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 985855) is 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is MJVPMBJMMXFAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S2/c1-2-15-19-20-18(27-15)21-28(25,26)12-9-7-11(8-10-12)22-16(23)13-5-3-4-6-14(13)17(22)24/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 414.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 985855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).