4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C16H14N4O4S3 — CID 91943617

IUPAC4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C16H14N4O4S3/c21-26(22,11-10-13-4-2-1-3-5-13)19-14-6-8-15(9-7-14)27(23,24)20-16-18-17-12-25-16/h1-12,19H,(H,18,20)
InChIKeyIRKRZBVJBWRNJX-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.75
Rot. Bonds7

About 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 91943617) has the molecular formula C16H14N4O4S3 and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID91943617
Molecular FormulaC16H14N4O4S3
Molecular Weight422.51 g/mol
Exact Mass422.02
IUPAC Name4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C16H14N4O4S3/c21-26(22,11-10-13-4-2-1-3-5-13)19-14-6-8-15(9-7-14)27(23,24)20-16-18-17-12-25-16/h1-12,19H,(H,18,20)
InChIKeyIRKRZBVJBWRNJX-UHFFFAOYSA-N
XLogP2.75
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 5049984
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 58302671
3-(2-chlorophenyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 74954387
N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 42999256
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide
CID 73168633
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 91943617) is 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1.
What is the InChIKey of 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is IRKRZBVJBWRNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S3/c21-26(22,11-10-13-4-2-1-3-5-13)19-14-6-8-15(9-7-14)27(23,24)20-16-18-17-12-25-16/h1-12,19H,(H,18,20).
What are the key properties of 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenylsulfonylamino)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 91943617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).