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

C16H16N4O4S3 — CID 653694

IUPAC4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C16H16N4O4S3/c1-2-15-17-18-16(25-15)20-27(23,24)14-10-8-12(9-11-14)19-26(21,22)13-6-4-3-5-7-13/h3-11,19H,2H2,1H3,(H,18,20)
InChIKeyHYWVNVGDBDEMKG-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.70
Rot. Bonds7

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

4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 653694) has the molecular formula C16H16N4O4S3 and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID653694
Molecular FormulaC16H16N4O4S3
Molecular Weight424.53 g/mol
Exact Mass424.03
IUPAC Name4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C16H16N4O4S3/c1-2-15-17-18-16(25-15)20-27(23,24)14-10-8-12(9-11-14)19-26(21,22)13-6-4-3-5-7-13/h3-11,19H,2H2,1H3,(H,18,20)
InChIKeyHYWVNVGDBDEMKG-UHFFFAOYSA-N
XLogP2.70
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Sulfamethizole
CID 5328
Sulfaethidole
CID 7181
Glybuthiazol
CID 10811
Glyprothiazol
CID 66458
1,3,4-Thiadiazole-2-sulfonamide, 5-(((4-aminophenyl)sulfonyl)amino)-
CID 134560
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162129
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 2289519
1-[4-[(5-Ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)thiourea
CID 1632077
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162125
5-[[4-(Sulfamoylamino)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 60201577
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 2179193
Sulfamethizole sodium
CID 23667549

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 653694) is 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is HYWVNVGDBDEMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S3/c1-2-15-17-18-16(25-15)20-27(23,24)14-10-8-12(9-11-14)19-26(21,22)13-6-4-3-5-7-13/h3-11,19H,2H2,1H3,(H,18,20).
What are the key properties of 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 424.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 653694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).