4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C14H12N4O3S2 — CID 35523784

IUPAC4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C14H12N4O3S2/c1-21-11-2-4-12(5-3-11)23(19,20)18-14-17-16-13(22-14)10-6-8-15-9-7-10/h2-9H,1H3,(H,17,18)
InChIKeyUIEZCSHPVVCREO-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.41
Rot. Bonds5

About 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 35523784) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID35523784
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C14H12N4O3S2/c1-21-11-2-4-12(5-3-11)23(19,20)18-14-17-16-13(22-14)10-6-8-15-9-7-10/h2-9H,1H3,(H,17,18)
InChIKeyUIEZCSHPVVCREO-UHFFFAOYSA-N
XLogP2.41
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100759457
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 4915020
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 750627
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 43812672
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
1,4,4-trimethyl-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3H-quinoline-6-sulfonamide
CID 91958551
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 108781480
N-[5-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100505726
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 35523784) is 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nnc(-c3ccncc3)s2)cc1.
What is the InChIKey of 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is UIEZCSHPVVCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c1-21-11-2-4-12(5-3-11)23(19,20)18-14-17-16-13(22-14)10-6-8-15-9-7-10/h2-9H,1H3,(H,17,18).
What are the key properties of 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 348.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35523784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).